Wednesday, October 31, 2012

http://ChemLookup.com Compounds




CAS RN: 856206-12-7
CAS Name: methanolate; titanium(4+)
OPENEYE Name: methanolate; titanium(4+)
IUPAC Name: methanolate; titanium(4+)
SYSTEMATIC NAME: methanolate; titanium(4+)
MOLECULAR FORMULA: C4H12O4Ti
MOLECULAR WEIGHT: 172.00268
SMILES: C[O-].C[O-].C[O-].C[O-].[Ti+4]
Structure:

CAS RN: 962-81-2
CAS Name: 3-(2-amino-1-hydroxypropyl)phenol; (2S,3S)-2,3-dihydroxybutanedioic acid
OPENEYE Name: 3-(2-amino-1-hydroxy-propyl)phenol; (2S,3S)-2,3-dihydroxybutanedioic acid
IUPAC Name: 3-(2-amino-1-hydroxypropyl)phenol; (2S,3S)-2,3-dihydroxybutanedioic acid
SYSTEMATIC NAME: 3-(2-azanyl-1-oxidanyl-propyl)phenol; (2S,3S)-2,3-bis(oxidanyl)butanedioic acid
MOLECULAR FORMULA: C13H19NO8
MOLECULAR WEIGHT: 317.29186
SMILES: CC(C(C1=CC(=CC=C1)O)O)N.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
Structure:

CAS RN: 917-13-5
CAS Name: (3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
OPENEYE Name: (3S,6R,9S,12R,15S,18R)-3,6,9,12,15,18-hexaisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
IUPAC Name: (3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
SYSTEMATIC NAME: (3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
MOLECULAR FORMULA: C33H57N3O9
MOLECULAR WEIGHT: 639.82038
SMILES: CC(C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C
Structure:

CAS RN: 868-19-9
CAS Name: strontium (2R,3R)-2,3-dihydroxybutanedioate
OPENEYE Name: strontium (2R,3R)-2,3-dihydroxybutanedioate
IUPAC Name: strontium (2R,3R)-2,3-dihydroxybutanedioate
SYSTEMATIC NAME: strontium (2R,3R)-2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C4H4O6Sr
MOLECULAR WEIGHT: 235.69096
SMILES: [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[Sr+2]
Structure:

CAS RN: 132305-04-5
CAS Name: oxalate; yttrium(3+)
OPENEYE Name: oxalate; yttrium(3+)
IUPAC Name: oxalate; yttrium(3+)
SYSTEMATIC NAME: ethanedioate; yttrium(3+)
MOLECULAR FORMULA: C6O12Y2
MOLECULAR WEIGHT: 441.8687
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Y+3].[Y+3]
Structure:

CAS RN: 26997-52-4
CAS Name: oxalate; yttrium(3+)
OPENEYE Name: oxalate; yttrium(3+)
IUPAC Name: oxalate; yttrium(3+)
SYSTEMATIC NAME: ethanedioate; yttrium(3+)
MOLECULAR FORMULA: C6O12Y2
MOLECULAR WEIGHT: 441.8687
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Y+3].[Y+3]
Structure:

CAS RN: 57158-22-2
CAS Name: oxalate; yttrium(3+)
OPENEYE Name: oxalate; yttrium(3+)
IUPAC Name: oxalate; yttrium(3+)
SYSTEMATIC NAME: ethanedioate; yttrium(3+)
MOLECULAR FORMULA: C6O12Y2
MOLECULAR WEIGHT: 441.8687
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Y+3].[Y+3]
Structure:

CAS RN: 57417-69-3
CAS Name: oxalate; yttrium(3+)
OPENEYE Name: oxalate; yttrium(3+)
IUPAC Name: oxalate; yttrium(3+)
SYSTEMATIC NAME: ethanedioate; yttrium(3+)
MOLECULAR FORMULA: C6O12Y2
MOLECULAR WEIGHT: 441.8687
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Y+3].[Y+3]
Structure:

CAS RN: 867-63-0
CAS Name: erbium(3+); oxalate
OPENEYE Name: erbium(3+); oxalate
IUPAC Name: erbium(3+); oxalate
SYSTEMATIC NAME: erbium(3+); ethanedioate
MOLECULAR FORMULA: C6Er2O12
MOLECULAR WEIGHT: 598.575
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Er+3].[Er+3]
Structure:

CAS RN: 829-74-3
CAS Name: 4-[(1R,2S)-2-amino-1-hydroxypropyl]benzene-1,2-diol
OPENEYE Name: 4-[(1R,2S)-2-amino-1-hydroxy-propyl]benzene-1,2-diol
IUPAC Name: 4-[(1R,2S)-2-amino-1-hydroxypropyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[(1R,2S)-2-azanyl-1-oxidanyl-propyl]benzene-1,2-diol
MOLECULAR FORMULA: C9H13NO3
MOLECULAR WEIGHT: 183.20442
SMILES: C[C@@H]([C@@H](C1=CC(=C(C=C1)O)O)O)N
Structure:

CAS RN: 815-91-8
CAS Name: [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-7-phosphonooxyheptyl] dihydrogen phosphate
OPENEYE Name: [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-7-phosphonooxy-heptyl] dihydrogen phosphate
IUPAC Name: [(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-7-phosphonooxyheptyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3R,4R,5S)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-7-phosphonooxy-heptyl] dihydrogen phosphate
MOLECULAR FORMULA: C7H16O13P2
MOLECULAR WEIGHT: 370.141662
SMILES: C([C@H]([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)O)OP(=O)(O)O
Structure:

CAS RN: 54377-04-7
CAS Name: 1H-2,1,3-benzothiadiazol-4-one
OPENEYE Name: 1H-2,1,3-benzothiadiazol-4-one
IUPAC Name: 1H-2,1,3-benzothiadiazol-4-one
SYSTEMATIC NAME: 1H-2,1,3-benzothiadiazol-4-one
MOLECULAR FORMULA: C6H4N2OS
MOLECULAR WEIGHT: 152.17376
SMILES: C1=CC(=O)C2=NSNC2=C1
Structure:

CAS RN: 735-46-6
CAS Name: (3S)-3,5-dihydroxy-2,2,8-trimethyl-3,4-dihydropyrano[3,2-g][1]benzopyran-6-one
OPENEYE Name: (3S)-3,5-dihydroxy-2,2,8-trimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
IUPAC Name: (3S)-3,5-dihydroxy-2,2,8-trimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
SYSTEMATIC NAME: (3S)-2,2,8-trimethyl-3,5-bis(oxidanyl)-3,4-dihydropyrano[3,2-g]chromen-6-one
MOLECULAR FORMULA: C15H16O5
MOLECULAR WEIGHT: 276.28454
SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)OC([C@H](C3)O)(C)C)O
Structure:

CAS RN: 80220-04-8
CAS Name: 1,1,2-trichloro-2-ethoxyethane
OPENEYE Name: 1,1,2-trichloro-2-ethoxy-ethane
IUPAC Name: 1,1,2-trichloro-2-ethoxyethane
SYSTEMATIC NAME: 1,1,2-tris(chloranyl)-2-ethoxy-ethane
MOLECULAR FORMULA: C4H7Cl3O
MOLECULAR WEIGHT: 177.45678
SMILES: CCOC(C(Cl)Cl)Cl
Structure:

CAS RN: 676-47-1
CAS Name: dipotassium butanedioate
OPENEYE Name: dipotassium butanedioate
IUPAC Name: dipotassium butanedioate
SYSTEMATIC NAME: dipotassium butanedioate
MOLECULAR FORMULA: C4H4K2O4
MOLECULAR WEIGHT: 194.26876
SMILES: C(CC(=O)[O-])C(=O)[O-].[K+].[K+]
Structure:

CAS RN: 641-17-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Structure:

CAS RN: 72998-15-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Structure:

CAS RN: 636-13-5
CAS Name: manganese(2+) dibenzoate
OPENEYE Name: manganous dibenzoate
IUPAC Name: manganese(2+) dibenzoate
SYSTEMATIC NAME: manganese(2+) dibenzoate
MOLECULAR FORMULA: C14H10MnO4
MOLECULAR WEIGHT: 297.164849
SMILES: C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Mn+2]
Structure:

CAS RN: 6706-92-9
CAS Name: ethane-1,2-diamine dihydrobromide
OPENEYE Name: ethane-1,2-diamine dihydrobromide
IUPAC Name: ethane-1,2-diamine dihydrobromide
SYSTEMATIC NAME: ethane-1,2-diamine dihydrobromide
MOLECULAR FORMULA: C2H10Br2N2
MOLECULAR WEIGHT: 221.9222
SMILES: C(CN)N.Br.Br
Structure:

CAS RN: 328-48-3
CAS Name: 4,5-diamino-5-oxopentanoic acid
OPENEYE Name: 4,5-diamino-5-oxo-pentanoic acid
IUPAC Name: 4,5-diamino-5-oxopentanoic acid
SYSTEMATIC NAME: 4,5-bis(azanyl)-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C5H10N2O3
MOLECULAR WEIGHT: 146.1445
SMILES: C(CC(=O)O)C(C(=O)N)N
Structure:

CAS RN: 591-65-1
CAS Name: barium(2+); 9-octadecenoate
OPENEYE Name: barium(2+); octadec-9-enoate
IUPAC Name: barium(2+); octadec-9-enoate
SYSTEMATIC NAME: barium(2+); octadec-9-enoate
MOLECULAR FORMULA: C36H66BaO4
MOLECULAR WEIGHT: 700.23384
SMILES: CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].[Ba+2]
Structure:

CAS RN: 587-11-1
CAS Name: 2-(4-fluorophenoxy)-2-methylpropanoic acid
OPENEYE Name: 2-(4-fluorophenoxy)-2-methyl-propanoic acid
IUPAC Name: 2-(4-fluorophenoxy)-2-methylpropanoic acid
SYSTEMATIC NAME: 2-(4-fluoranylphenoxy)-2-methyl-propanoic acid
MOLECULAR FORMULA: C10H11FO3
MOLECULAR WEIGHT: 198.190943
SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)F
Structure:

CAS RN: 576-97-6
CAS Name: disodium 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonate
OPENEYE Name: disodium 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonate
IUPAC Name: disodium 1-phenyl-3-(4-sulfamoylanilino)propane-1,3-disulfonate
SYSTEMATIC NAME: disodium 1-phenyl-3-[(4-sulfamoylphenyl)amino]propane-1,3-disulfonate
MOLECULAR FORMULA: C15H16N2Na2O8S3
MOLECULAR WEIGHT: 494.47068
SMILES: C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:

CAS RN: 576-16-9
CAS Name: 2-(5-fluoro-1H-indol-3-yl)ethanamine
OPENEYE Name: 2-(5-fluoro-1H-indol-3-yl)ethanamine
IUPAC Name: 2-(5-fluoro-1H-indol-3-yl)ethanamine
SYSTEMATIC NAME: 2-(5-fluoranyl-1H-indol-3-yl)ethanamine
MOLECULAR FORMULA: C10H11FN2
MOLECULAR WEIGHT: 178.206143
SMILES: C1=CC2=C(C=C1F)C(=CN2)CCN
Structure:

CAS RN: 63582-81-0
CAS Name: 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-dione
OPENEYE Name: 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-dione
IUPAC Name: 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
SYSTEMATIC NAME: 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
MOLECULAR FORMULA: C19H18O3
MOLECULAR WEIGHT: 294.34442
SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
Structure:

CAS RN: 566-91-6
CAS Name: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C27H42O
MOLECULAR WEIGHT: 382.62178
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C
Structure:

CAS RN: 63499-94-5
CAS Name: (3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-oxidanylethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C21H36O2
MOLECULAR WEIGHT: 320.50934
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O
Structure:

CAS RN: 566-24-5
CAS Name: (4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H40O4
MOLECULAR WEIGHT: 392.572
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C
Structure:

CAS RN: 63471-85-2
CAS Name: (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-7,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H40O4
MOLECULAR WEIGHT: 392.572
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCCC4)C)O)O)C
Structure:

CAS RN: 6345-68-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H39N5O5
MOLECULAR WEIGHT: 561.67186
SMILES: CC(C)[C@@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
Structure:

CAS RN: 14244-60-1
CAS Name: dipotassium platinum(2+) tetracyanide
OPENEYE Name: dipotassium platinum(2+) tetracyanide
IUPAC Name: dipotassium platinum(2+) tetracyanide
SYSTEMATIC NAME: dipotassium platinum(2+) tetracyanide
MOLECULAR FORMULA: C4K2N4Pt
MOLECULAR WEIGHT: 377.3442
SMILES: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[Pt+2]
Structure:

CAS RN: 551-59-7
CAS Name: [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methanol
OPENEYE Name: [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methanol
IUPAC Name: [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methanol
SYSTEMATIC NAME: [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methanol
MOLECULAR FORMULA: C8H13NO
MOLECULAR WEIGHT: 139.19492
SMILES: C1C[C@H]2C(=CCN2C1)CO
Structure:

http://ChemLookup.com Compounds




CAS RN: 1144-27-0
CAS Name: 3,5-diamino-N-[amino(dimethylamino)methylidene]-6-chloro-2-pyrazinecarboxamide
OPENEYE Name: 3,5-diamino-N-[amino(dimethylamino)methylene]-6-chloro-pyrazine-2-carboxamide
IUPAC Name: 3,5-diamino-N-[amino(dimethylamino)methylidene]-6-chloropyrazine-2-carboxamide
SYSTEMATIC NAME: 3,5-bis(azanyl)-N-[azanyl(dimethylamino)methylidene]-6-chloranyl-pyrazine-2-carboxamide
MOLECULAR FORMULA: C8H12ClN7O
MOLECULAR WEIGHT: 257.68018
SMILES: CN(C)C(=NC(=O)C1=C(N=C(C(=N1)Cl)N)N)N
Structure:

CAS RN: 1144-27-0
CAS Name: 3,5-diamino-N-[amino(dimethylamino)methylidene]-6-chloro-2-pyrazinecarboxamide hydrochloride
OPENEYE Name: 3,5-diamino-N-[amino(dimethylamino)methylene]-6-chloro-pyrazine-2-carboxamide hydrochloride
IUPAC Name: 3,5-diamino-N-[amino(dimethylamino)methylidene]-6-chloropyrazine-2-carboxamide hydrochloride
SYSTEMATIC NAME: 3,5-bis(azanyl)-N-[azanyl(dimethylamino)methylidene]-6-chloranyl-pyrazine-2-carboxamide hydrochloride
MOLECULAR FORMULA: C8H13Cl2N7O
MOLECULAR WEIGHT: 294.14112
SMILES: CN(C)C(=NC(=O)C1=C(N=C(C(=N1)Cl)N)N)N.Cl
Structure:

CAS RN: 115575-11-6
CAS Name: (6R,7R)-3-[[[dimethylamino(sulfanylidene)methyl]thio]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-3-(dimethylcarbamothioylsulfanylmethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-3-(dimethylcarbamothioylsulfanylmethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-3-(dimethylcarbamothioylsulfanylmethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C17H19N3O4S4
MOLECULAR WEIGHT: 457.61046
SMILES: CN(C)C(=S)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O
Structure:

CAS RN: 1052-92-2
CAS Name: 2-(2-hydroxyethylamino)ethanol; 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; 2-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]acetic acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
SYSTEMATIC NAME: 2-[3,5-bis(iodanyl)-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]ethanoic acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C18H20I3NO6
MOLECULAR WEIGHT: 727.06791
SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)O.C(CO)NCCO
Structure:

CAS RN: 115074-55-0
CAS Name: 2-(2-hydroxyethylamino)ethanol; 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; 2-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]acetic acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
SYSTEMATIC NAME: 2-[3,5-bis(iodanyl)-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]ethanoic acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C18H20I3NO6
MOLECULAR WEIGHT: 727.06791
SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)O.C(CO)NCCO
Structure:

CAS RN: 114066-51-2
CAS Name: (2R,3aS,3bS,5aS,6R,8aS,8bR,10aS)-2,6-diethynyl-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
OPENEYE Name: (2R,3aS,3bS,5aS,6R,8aS,8bR,10aS)-2,6-diethynyl-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
IUPAC Name: (2R,3aS,3bS,5aS,6R,8aS,8bR,10aS)-2,6-diethynyl-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
SYSTEMATIC NAME: (2R,3aS,3bS,5aS,6R,8aS,8bR,10aS)-2,6-diethynyl-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
MOLECULAR FORMULA: C22H30O2
MOLECULAR WEIGHT: 326.4724
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4[C@@]3(C[C@](C4)(C#C)O)C
Structure:

CAS RN: 114030-60-3
CAS Name: (8R,9S,10R,14S)-17-ethynyl-17-hydroxy-13-propyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,14S)-17-ethynyl-17-hydroxy-13-propyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,14S)-17-ethynyl-17-hydroxy-13-propyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,14S)-17-ethynyl-17-oxidanyl-13-propyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H30O2
MOLECULAR WEIGHT: 326.4724
SMILES: CCCC12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=CC(=O)CC[C@H]34
Structure:

CAS RN: 110900-72-6
CAS Name: 1-[(4-chlorophenyl)-phenylmethyl]piperazine dihydrochloride
OPENEYE Name: 1-[(4-chlorophenyl)-phenyl-methyl]piperazine dihydrochloride
IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]piperazine dihydrochloride
SYSTEMATIC NAME: 1-[(4-chlorophenyl)-phenyl-methyl]piperazine dihydrochloride
MOLECULAR FORMULA: C17H21Cl3N2
MOLECULAR WEIGHT: 359.72104
SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
Structure:

CAS RN: 1003-40-3
CAS Name: 4-pyridinamine hydrochloride
OPENEYE Name: pyridin-4-amine hydrochloride
IUPAC Name: pyridin-4-amine hydrochloride
SYSTEMATIC NAME: pyridin-4-amine hydrochloride
MOLECULAR FORMULA: C5H7ClN2
MOLECULAR WEIGHT: 130.57548
SMILES: C1=CN=CC=C1N.Cl
Structure:

CAS RN: 51373-68-3
CAS Name: oxalate; ytterbium(3+)
OPENEYE Name: oxalate; ytterbium(3+)
IUPAC Name: oxalate; ytterbium(3+)
SYSTEMATIC NAME: ethanedioate; ytterbium(3+)
MOLECULAR FORMULA: C6O12Yb2
MOLECULAR WEIGHT: 610.137
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Yb+3].[Yb+3]
Structure:

CAS RN: 141227-30-7
CAS Name: oxalate; terbium(3+)
OPENEYE Name: oxalate; terbium(3+)
IUPAC Name: oxalate; terbium(3+)
SYSTEMATIC NAME: ethanedioate; terbium(3+)
MOLECULAR FORMULA: C6O12Tb2
MOLECULAR WEIGHT: 581.90768
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Tb+3].[Tb+3]
Structure:

CAS RN: 163019-27-0
CAS Name: oxalate; terbium(3+)
OPENEYE Name: oxalate; terbium(3+)
IUPAC Name: oxalate; terbium(3+)
SYSTEMATIC NAME: ethanedioate; terbium(3+)
MOLECULAR FORMULA: C6O12Tb2
MOLECULAR WEIGHT: 581.90768
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Tb+3].[Tb+3]
Structure:

CAS RN: 12563-47-2
CAS Name: methanolate; titanium(4+)
OPENEYE Name: methanolate; titanium(4+)
IUPAC Name: methanolate; titanium(4+)
SYSTEMATIC NAME: methanolate; titanium(4+)
MOLECULAR FORMULA: C4H12O4Ti
MOLECULAR WEIGHT: 172.00268
SMILES: C[O-].C[O-].C[O-].C[O-].[Ti+4]
Structure:

http://ChemLookup.com Compounds




CAS RN: 1576-68-7
CAS Name: 3-ethylphenanthrene
OPENEYE Name: 3-ethylphenanthrene
IUPAC Name: 3-ethylphenanthrene
SYSTEMATIC NAME: 3-ethylphenanthrene
MOLECULAR FORMULA: C16H14
MOLECULAR WEIGHT: 206.28236
SMILES: CCC1=CC2=C(C=CC3=CC=CC=C32)C=C1
Structure:

CAS RN: 18472-24-7
CAS Name: 1-(1-aziridinylmethyl)piperidine
OPENEYE Name: 1-(aziridin-1-ylmethyl)piperidine
IUPAC Name: 1-(aziridin-1-ylmethyl)piperidine
SYSTEMATIC NAME: 1-(aziridin-1-ylmethyl)piperidine
MOLECULAR FORMULA: C8H16N2
MOLECULAR WEIGHT: 140.22604
SMILES: C1CCN(CC1)CN2CC2
Structure:

CAS RN: 18470-33-2
CAS Name: 1-(1-aziridinylmethyl)pyrrolidine
OPENEYE Name: 1-(aziridin-1-ylmethyl)pyrrolidine
IUPAC Name: 1-(aziridin-1-ylmethyl)pyrrolidine
SYSTEMATIC NAME: 1-(aziridin-1-ylmethyl)pyrrolidine
MOLECULAR FORMULA: C7H14N2
MOLECULAR WEIGHT: 126.19946
SMILES: C1CCN(C1)CN2CC2
Structure:

CAS RN: 120600-86-4
CAS Name: 4-nitrobenzenediazonium hexafluorophosphate
OPENEYE Name: 4-nitrobenzenediazonium hexafluorophosphate
IUPAC Name: 4-nitrobenzenediazonium hexafluorophosphate
SYSTEMATIC NAME: 4-nitrobenzenediazonium hexafluorophosphate
MOLECULAR FORMULA: C6H4F6N3O2P
MOLECULAR WEIGHT: 295.07904
SMILES: C1=CC(=CC=C1[N+]#N)[N+](=O)[O-].F[P-](F)(F)(F)(F)F
Structure:

CAS RN: 1514-52-9
CAS Name: 4-nitrobenzenediazonium hexafluorophosphate
OPENEYE Name: 4-nitrobenzenediazonium hexafluorophosphate
IUPAC Name: 4-nitrobenzenediazonium hexafluorophosphate
SYSTEMATIC NAME: 4-nitrobenzenediazonium hexafluorophosphate
MOLECULAR FORMULA: C6H4F6N3O2P
MOLECULAR WEIGHT: 295.07904
SMILES: C1=CC(=CC=C1[N+]#N)[N+](=O)[O-].F[P-](F)(F)(F)(F)F
Structure:

CAS RN: 1486-39-1
CAS Name: 1-[bis(ethylthio)phosphorylthio]ethane
OPENEYE Name: 1-bis(ethylsulfanyl)phosphorylsulfanylethane
IUPAC Name: 1-bis(ethylsulfanyl)phosphorylsulfanylethane
SYSTEMATIC NAME: 1-bis(ethylsulfanyl)phosphorylsulfanylethane
MOLECULAR FORMULA: C6H15OPS3
MOLECULAR WEIGHT: 230.351461
SMILES: CCSP(=O)(SCC)SCC
Structure:

CAS RN: 1482-50-4
CAS Name: (5R,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (5R,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (5R,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5R,8S,9S,10S,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H32O5
MOLECULAR WEIGHT: 364.47578
SMILES: C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
Structure:

CAS RN: 16820-54-5
CAS Name: 1,1,2,2,4,4,5,5-octafluoro-1,5-dimethoxy-3-pentanone
OPENEYE Name: 1,1,2,2,4,4,5,5-octafluoro-1,5-dimethoxy-pentan-3-one
IUPAC Name: 1,1,2,2,4,4,5,5-octafluoro-1,5-dimethoxypentan-3-one
SYSTEMATIC NAME: 1,1,2,2,4,4,5,5-octakis(fluoranyl)-1,5-dimethoxy-pentan-3-one
MOLECULAR FORMULA: C7H6F8O3
MOLECULAR WEIGHT: 290.107966
SMILES: COC(C(C(=O)C(C(OC)(F)F)(F)F)(F)F)(F)F
Structure:

CAS RN: 1421-80-3
CAS Name: 3-naphtho[1,2-b]phenanthrenol
OPENEYE Name: naphtho[1,2-b]phenanthren-3-ol
IUPAC Name: naphtho[1,2-b]phenanthren-3-ol
SYSTEMATIC NAME: naphtho[1,2-b]phenanthren-3-ol
MOLECULAR FORMULA: C22H14O
MOLECULAR WEIGHT: 294.34596
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=C(C4=C3)C=CC(=C5)O
Structure:

CAS RN: 1344-70-3
CAS Name: copper oxygen(2-)
OPENEYE Name: copper oxygen(2-)
IUPAC Name: copper oxygen(2-)
SYSTEMATIC NAME: copper oxygen(2-)
MOLECULAR FORMULA: CuO
MOLECULAR WEIGHT: 79.5454
SMILES: [O-2].[Cu+2]
Structure:

CAS RN: 12125-21-2
CAS Name: copper dihydroxide
OPENEYE Name: copper dihydroxide
IUPAC Name: copper dihydroxide
SYSTEMATIC NAME: copper dihydroxide
MOLECULAR FORMULA: CuH2O2
MOLECULAR WEIGHT: 97.56068
SMILES: [OH-].[OH-].[Cu+2]
Structure:

CAS RN: 1344-69-0
CAS Name: copper dihydroxide
OPENEYE Name: copper dihydroxide
IUPAC Name: copper dihydroxide
SYSTEMATIC NAME: copper dihydroxide
MOLECULAR FORMULA: CuH2O2
MOLECULAR WEIGHT: 97.56068
SMILES: [OH-].[OH-].[Cu+2]
Structure:

CAS RN: 1333-78-4
CAS Name: potassium; antimony(3+); oxygen(2-)
OPENEYE Name: potassium; antimony(3+); oxygen(2-)
IUPAC Name: potassium; antimony(3+); oxygen(2-)
SYSTEMATIC NAME: potassium; antimony(3+); oxygen(2-)
MOLECULAR FORMULA: KO2Sb
MOLECULAR WEIGHT: 192.8571
SMILES: [O-2].[O-2].[K+].[Sb+3]
Structure:

CAS RN: 8011-72-1
CAS Name: potassium; antimony(3+); oxygen(2-)
OPENEYE Name: potassium; antimony(3+); oxygen(2-)
IUPAC Name: potassium; antimony(3+); oxygen(2-)
SYSTEMATIC NAME: potassium; antimony(3+); oxygen(2-)
MOLECULAR FORMULA: KO2Sb
MOLECULAR WEIGHT: 192.8571
SMILES: [O-2].[O-2].[K+].[Sb+3]
Structure:

CAS RN: 61436-88-2
CAS Name: 1,2-dimethyl-1-cyclohexanol
OPENEYE Name: 1,2-dimethylcyclohexanol
IUPAC Name: 1,2-dimethylcyclohexan-1-ol
SYSTEMATIC NAME: 1,2-dimethylcyclohexan-1-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CC1CCCCC1(C)O
Structure:

CAS RN: 1333-45-5
CAS Name: 1,2-dimethyl-1-cyclohexanol
OPENEYE Name: 1,2-dimethylcyclohexanol
IUPAC Name: 1,2-dimethylcyclohexan-1-ol
SYSTEMATIC NAME: 1,2-dimethylcyclohexan-1-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CC1CCCCC1(C)O
Structure:

CAS RN: 11130-24-8
CAS Name: vanadium pentasulfide
OPENEYE Name: vanadium pentasulfide
IUPAC Name: vanadium pentasulfide
SYSTEMATIC NAME: vanadium pentasulfide
MOLECULAR FORMULA: S5V2-10
MOLECULAR WEIGHT: 262.208
SMILES: [S-2].[S-2].[S-2].[S-2].[S-2].[V].[V]
Structure:

CAS RN: 1308-85-6
CAS Name: dysprosium(3+) trihydroxide
OPENEYE Name: dysprosium(3+) trihydroxide
IUPAC Name: dysprosium(3+) trihydroxide
SYSTEMATIC NAME: dysprosium(3+) trihydroxide
MOLECULAR FORMULA: DyH3O3
MOLECULAR WEIGHT: 213.52202
SMILES: [OH-].[OH-].[OH-].[Dy+3]
Structure:

CAS RN: 1303-58-8
CAS Name: gold(3+); oxygen(2-)
OPENEYE Name: gold(3+); oxygen(2-)
IUPAC Name: gold(3+); oxygen(2-)
SYSTEMATIC NAME: gold(3+); oxygen(2-)
MOLECULAR FORMULA: Au2O3
MOLECULAR WEIGHT: 441.9313
SMILES: [O-2].[O-2].[O-2].[Au+3].[Au+3]
Structure:

CAS RN: 1302-82-5
CAS Name: dialuminum selenium(2-)
OPENEYE Name: dialuminum selenium(2-)
IUPAC Name: dialuminum selenium(2-)
SYSTEMATIC NAME: dialuminum selenium(2-)
MOLECULAR FORMULA: Al2Se3
MOLECULAR WEIGHT: 290.843076
SMILES: [Al+3].[Al+3].[Se-2].[Se-2].[Se-2]
Structure:

CAS RN: 1300-92-1
CAS Name: 2-anilinobenzenesulfonate; barium(2+)
OPENEYE Name: 2-anilinobenzenesulfonate; barium(2+)
IUPAC Name: 2-anilinobenzenesulfonate; barium(2+)
SYSTEMATIC NAME: barium(2+); 2-phenylazanylbenzenesulfonate
MOLECULAR FORMULA: C24H20BaN2O6S2
MOLECULAR WEIGHT: 633.8824
SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=CC=C2S(=O)(=O)[O-].[Ba+2]
Structure:

CAS RN: 1264-51-3
CAS Name: acetic acid [4-hydroxy-6-[[4-hydroxy-6-[[4-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-3-oxanyl]oxy]-2-methyl-3-oxanyl]oxy]-2-methyl-3-oxanyl] es
OPENEYE Name: [4-hydroxy-6-[4-hydroxy-6-[4-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-tetr
IUPAC Name: [4-hydroxy-6-[4-hydroxy-6-[4-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl] acetate
SYSTEMATIC NAME: [6-[6-[6-[[10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl] e
MOLECULAR FORMULA: C43H66O14
MOLECULAR WEIGHT: 806.97574
SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C)O)O
Structure:

CAS RN: 1212-48-2
CAS Name: 2-(phenylmethyl)-1H-benzimidazole hydrochloride
OPENEYE Name: 2-benzyl-1H-benzimidazole hydrochloride
IUPAC Name: 2-benzyl-1H-benzimidazole hydrochloride
SYSTEMATIC NAME: 2-(phenylmethyl)-1H-benzimidazole hydrochloride
MOLECULAR FORMULA: C14H13ClN2
MOLECULAR WEIGHT: 244.71942
SMILES: C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2.Cl
Structure:

CAS RN: 1188-07-4
CAS Name: (2S)-2-amino-6-(methylamino)hexanoic acid
OPENEYE Name: (2S)-2-amino-6-(methylamino)hexanoic acid
IUPAC Name: (2S)-2-amino-6-(methylamino)hexanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-6-(methylamino)hexanoic acid
MOLECULAR FORMULA: C7H16N2O2
MOLECULAR WEIGHT: 160.21414
SMILES: CNCCCC[C@@H](C(=O)O)N
Structure:

CAS RN: 1186-50-1
CAS Name: neodymium(3+); oxalate
OPENEYE Name: neodymium(3+); oxalate
IUPAC Name: neodymium(3+); oxalate
SYSTEMATIC NAME: ethanedioate; neodymium(3+)
MOLECULAR FORMULA: C6Nd2O12
MOLECULAR WEIGHT: 552.537
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Nd+3].[Nd+3]
Structure:

CAS RN: 112008-41-0
CAS Name: neodymium(3+); oxalate
OPENEYE Name: neodymium(3+); oxalate
IUPAC Name: neodymium(3+); oxalate
SYSTEMATIC NAME: ethanedioate; neodymium(3+)
MOLECULAR FORMULA: C6Nd2O12
MOLECULAR WEIGHT: 552.537
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Nd+3].[Nd+3]
Structure:

CAS RN: 112096-91-0
CAS Name: neodymium(3+); oxalate
OPENEYE Name: neodymium(3+); oxalate
IUPAC Name: neodymium(3+); oxalate
SYSTEMATIC NAME: ethanedioate; neodymium(3+)
MOLECULAR FORMULA: C6Nd2O12
MOLECULAR WEIGHT: 552.537
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Nd+3].[Nd+3]
Structure:

CAS RN: 118720-54-0
CAS Name: neodymium(3+); oxalate
OPENEYE Name: neodymium(3+); oxalate
IUPAC Name: neodymium(3+); oxalate
SYSTEMATIC NAME: ethanedioate; neodymium(3+)
MOLECULAR FORMULA: C6Nd2O12
MOLECULAR WEIGHT: 552.537
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Nd+3].[Nd+3]
Structure:

CAS RN: 134447-89-5
CAS Name: neodymium(3+); oxalate
OPENEYE Name: neodymium(3+); oxalate
IUPAC Name: neodymium(3+); oxalate
SYSTEMATIC NAME: ethanedioate; neodymium(3+)
MOLECULAR FORMULA: C6Nd2O12
MOLECULAR WEIGHT: 552.537
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Nd+3].[Nd+3]
Structure:

CAS RN: 137424-82-9
CAS Name: neodymium(3+); oxalate
OPENEYE Name: neodymium(3+); oxalate
IUPAC Name: neodymium(3+); oxalate
SYSTEMATIC NAME: ethanedioate; neodymium(3+)
MOLECULAR FORMULA: C6Nd2O12
MOLECULAR WEIGHT: 552.537
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Nd+3].[Nd+3]
Structure:

CAS RN: 28877-85-2
CAS Name: neodymium(3+); oxalate
OPENEYE Name: neodymium(3+); oxalate
IUPAC Name: neodymium(3+); oxalate
SYSTEMATIC NAME: ethanedioate; neodymium(3+)
MOLECULAR FORMULA: C6Nd2O12
MOLECULAR WEIGHT: 552.537
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Nd+3].[Nd+3]
Structure:

CAS RN: 12550-27-5
CAS Name: europium(3+) triacetate
OPENEYE Name: europium(3+) triacetate
IUPAC Name: europium(3+) triacetate
SYSTEMATIC NAME: europium(3+) triethanoate
MOLECULAR FORMULA: C6H9EuO6
MOLECULAR WEIGHT: 329.09606
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Eu+3]
Structure:

CAS RN: 1180-34-3
CAS Name: acetic acid [(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] ester
OPENEYE Name: [(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate
IUPAC Name: [(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate
SYSTEMATIC NAME: [(5R,5aR,8aR,9R)-8-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] ethanoate
MOLECULAR FORMULA: C24H24O9
MOLECULAR WEIGHT: 456.44196
SMILES: CC(=O)O[C@@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC
Structure:

CAS RN: 13837-48-4
CAS Name: acetic acid [(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] ester
OPENEYE Name: [(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate
IUPAC Name: [(5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate
SYSTEMATIC NAME: [(5R,5aR,8aR,9R)-8-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] ethanoate
MOLECULAR FORMULA: C24H24O9
MOLECULAR WEIGHT: 456.44196
SMILES: CC(=O)O[C@@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC
Structure:

CAS RN: 1146-71-0
CAS Name: 7,9-dimethoxy-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one
OPENEYE Name: 7,9-dimethoxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
IUPAC Name: 7,9-dimethoxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SYSTEMATIC NAME: 7,9-dimethoxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
MOLECULAR FORMULA: C14H14O4
MOLECULAR WEIGHT: 246.25856
SMILES: COC1=CC(=C2C3=C(CCC3)C(=O)OC2=C1)OC
Structure: