CAS RN: 10485-66-2
CAS Name: sulfuric acid (2-hydroxy-5-nitrophenyl) ester
OPENEYE Name: (2-hydroxy-5-nitro-phenyl) hydrogen sulfate
IUPAC Name: (2-hydroxy-5-nitrophenyl) hydrogen sulfate
SYSTEMATIC NAME: (5-nitro-2-oxidanyl-phenyl) hydrogen sulfate
MOLECULAR FORMULA: C6H5NO7S
MOLECULAR WEIGHT: 235.1714
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])OS(=O)(=O)O)O
Structure:
CAS RN: 114474-59-8
CAS Name: 2-[dodecyl-bis(2-hydroxyethyl)ammonio]acetate
OPENEYE Name: 2-[dodecyl-bis(2-hydroxyethyl)ammonio]acetate
IUPAC Name: 2-[dodecyl-bis(2-hydroxyethyl)azaniumyl]acetate
SYSTEMATIC NAME: 2-[dodecyl-bis(2-hydroxyethyl)azaniumyl]ethanoate
MOLECULAR FORMULA: C18H37NO4
MOLECULAR WEIGHT: 331.49068
SMILES: CCCCCCCCCCCC[N+](CCO)(CCO)CC(=O)[O-]
Structure:
CAS RN: 114298-18-9
CAS Name: 4-[(4-chlorophenyl)-phenylmethyl]-1-methyl-1-oxidopiperazin-1-ium
OPENEYE Name: 4-[(4-chlorophenyl)-phenyl-methyl]-1-methyl-1-oxido-piperazin-1-ium
IUPAC Name: 4-[(4-chlorophenyl)-phenylmethyl]-1-methyl-1-oxidopiperazin-1-ium
SYSTEMATIC NAME: 4-[(4-chlorophenyl)-phenyl-methyl]-1-methyl-1-oxidanidyl-piperazin-1-ium
MOLECULAR FORMULA: C18H21ClN2O
MOLECULAR WEIGHT: 316.82514
SMILES: C[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)[O-]
Structure:
CAS RN: 114175-99-4
CAS Name: (3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl]methyl ester
OPENEYE Name: (5-benzyl-3-furyl)methyl (3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: (5-benzylfuran-3-yl)methyl (3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: [5-(phenylmethyl)furan-3-yl]methyl (3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H26O3
MOLECULAR WEIGHT: 338.44004
SMILES: CC(=C[C@H]1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C
Structure:
CAS RN: 10442-39-4
CAS Name: tetrabutylammonium cyanide
OPENEYE Name: tetrabutylammonium cyanide
IUPAC Name: tetrabutylazanium cyanide
SYSTEMATIC NAME: tetrabutylazanium cyanide
MOLECULAR FORMULA: C17H36N2
MOLECULAR WEIGHT: 268.48114
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N
Structure:
CAS RN: 113846-07-4
CAS Name: (2R,3R,12bR)-3-ethenyl-9-methoxy-2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
OPENEYE Name: (2R,3R,12bR)-9-methoxy-2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
IUPAC Name: (2R,3R,12bR)-3-ethenyl-9-methoxy-2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
SYSTEMATIC NAME: (2R,3R,12bR)-3-ethenyl-9-methoxy-2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
MOLECULAR FORMULA: C31H36N4O2
MOLECULAR WEIGHT: 496.64314
SMILES: COC1=CC2=C(C=C1)NC3=C2CCN[C@@H]3C[C@@H]4C[C@@H]5C6=C(CCN5C[C@@H]4C=C)C7=C(N6)C=CC(=C7)OC
Structure:
CAS RN: 10425-11-3
CAS Name: (3,4-dihydroxyphenyl)-phenylmethanone
OPENEYE Name: (3,4-dihydroxyphenyl)-phenyl-methanone
IUPAC Name: (3,4-dihydroxyphenyl)-phenylmethanone
SYSTEMATIC NAME: [3,4-bis(oxidanyl)phenyl]-phenyl-methanone
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)O)O
Structure:
CAS RN: 113793-56-9
CAS Name: (3,4-dihydroxyphenyl)-phenylmethanone
OPENEYE Name: (3,4-dihydroxyphenyl)-phenyl-methanone
IUPAC Name: (3,4-dihydroxyphenyl)-phenylmethanone
SYSTEMATIC NAME: [3,4-bis(oxidanyl)phenyl]-phenyl-methanone
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)O)O
Structure:
CAS RN: 10381-36-9
CAS Name: nickel(2+) diphosphate
OPENEYE Name: trinickelous diphosphate
IUPAC Name: nickel(2+) diphosphate
SYSTEMATIC NAME: nickel(2+) diphosphate
MOLECULAR FORMULA: Ni3O8P2
MOLECULAR WEIGHT: 366.022922
SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ni+2].[Ni+2].[Ni+2]
Structure:
CAS RN: 10377-52-3
CAS Name: trilithium phosphate
OPENEYE Name: trilithium phosphate
IUPAC Name: trilithium phosphate
SYSTEMATIC NAME: trilithium phosphate
MOLECULAR FORMULA: Li3O4P
MOLECULAR WEIGHT: 115.794361
SMILES: [Li+].[Li+].[Li+].[O-]P(=O)([O-])[O-]
Structure:
CAS RN: 117384-41-5
CAS Name: trilithium phosphate
OPENEYE Name: trilithium phosphate
IUPAC Name: trilithium phosphate
SYSTEMATIC NAME: trilithium phosphate
MOLECULAR FORMULA: Li3O4P
MOLECULAR WEIGHT: 115.794361
SMILES: [Li+].[Li+].[Li+].[O-]P(=O)([O-])[O-]
Structure:
CAS RN: 10343-61-0
CAS Name: titanium(3+) trisulfate
OPENEYE Name: titanium(3+) trisulfate
IUPAC Name: titanium(3+) trisulfate
SYSTEMATIC NAME: titanium(3+) trisulfate
MOLECULAR FORMULA: O12S3Ti2
MOLECULAR WEIGHT: 383.9218
SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ti+3].[Ti+3]
Structure:
CAS RN: 11111-23-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28O3
MOLECULAR WEIGHT: 304.42382
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H]4[C@]5([C@@]3(CC[C@@H](C5)O)C)O4
Structure:
CAS RN: 110900-71-5
CAS Name: [(2R,3S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl [(2R,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] hydrogen phosphate
OPENEYE Name: [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] hydrogen phosphate
IUPAC Name: [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl [(2R,3R,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] hydrogen phosphate
MOLECULAR FORMULA: C19H25N4O12P
MOLECULAR WEIGHT: 532.395161
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O
Structure:
CAS RN: 10308-82-4
CAS Name: 2-aminoguanidine; nitric acid
OPENEYE Name: 2-aminoguanidine; nitric acid
IUPAC Name: 2-aminoguanidine; nitric acid
SYSTEMATIC NAME: 2-azanylguanidine; nitric acid
MOLECULAR FORMULA: CH7N5O3
MOLECULAR WEIGHT: 137.09798
SMILES: C(=NN)(N)N.[N+](=O)(O)[O-]
Structure:
CAS RN: 10290-71-8
CAS Name: iron(3+) tricarbonate
OPENEYE Name: diferric tricarbonate
IUPAC Name: iron(3+) tricarbonate
SYSTEMATIC NAME: iron(3+) tricarbonate
MOLECULAR FORMULA: C3Fe2O9
MOLECULAR WEIGHT: 291.7167
SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Fe+3].[Fe+3]
Structure:
CAS RN: 26273-46-1
CAS Name: iron(3+) tricarbonate
OPENEYE Name: diferric tricarbonate
IUPAC Name: iron(3+) tricarbonate
SYSTEMATIC NAME: iron(3+) tricarbonate
MOLECULAR FORMULA: C3Fe2O9
MOLECULAR WEIGHT: 291.7167
SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Fe+3].[Fe+3]
Structure:
CAS RN: 10277-44-8
CAS Name: praseodymium(3+) trisulfate
OPENEYE Name: praseodymium(3+) trisulfate
IUPAC Name: praseodymium(3+) trisulfate
SYSTEMATIC NAME: praseodymium(3+) trisulfate
MOLECULAR FORMULA: O12Pr2S3
MOLECULAR WEIGHT: 570.0031
SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Pr+3].[Pr+3]
Structure:
CAS RN: 10262-84-7
CAS Name: pyrene-1,6-diol
OPENEYE Name: pyrene-1,6-diol
IUPAC Name: pyrene-1,6-diol
SYSTEMATIC NAME: pyrene-1,6-diol
MOLECULAR FORMULA: C16H10O2
MOLECULAR WEIGHT: 234.2494
SMILES: C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)O)O
Structure:
CAS RN: 11041-15-9
CAS Name: pyrene-1,6-diol
OPENEYE Name: pyrene-1,6-diol
IUPAC Name: pyrene-1,6-diol
SYSTEMATIC NAME: pyrene-1,6-diol
MOLECULAR FORMULA: C16H10O2
MOLECULAR WEIGHT: 234.2494
SMILES: C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)O)O
Structure:
CAS RN: 109945-72-4
CAS Name: (2R,3S,4S,5R)-2-(4-amino-2-imino-1-pyrimidinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3S,4S,5R)-2-(4-amino-2-imino-pyrimidin-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3S,4S,5R)-2-(4-amino-2-iminopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4S,5R)-2-(4-azanyl-2-azanylidene-pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C9H14N4O4
MOLECULAR WEIGHT: 242.23186
SMILES: C1=CN(C(=N)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 10179-73-4
CAS Name: dioxido(oxo)silane; iron(2+)
OPENEYE Name: ferrous dioxido(oxo)silane
IUPAC Name: dioxido(oxo)silane; iron(2+)
SYSTEMATIC NAME: bis(oxidanidyl)-oxidanylidene-silane; iron(2+)
MOLECULAR FORMULA: FeO3Si
MOLECULAR WEIGHT: 131.9287
SMILES: [O-][Si](=O)[O-].[Fe+2]
Structure:
CAS RN: 14640-78-9
CAS Name: dioxido(oxo)silane; iron(2+)
OPENEYE Name: ferrous dioxido(oxo)silane
IUPAC Name: dioxido(oxo)silane; iron(2+)
SYSTEMATIC NAME: bis(oxidanidyl)-oxidanylidene-silane; iron(2+)
MOLECULAR FORMULA: FeO3Si
MOLECULAR WEIGHT: 131.9287
SMILES: [O-][Si](=O)[O-].[Fe+2]
Structure:
CAS RN: 109629-18-7
CAS Name: (2S,3R,5R,9R,10R,13R,17S)-17-acetyl-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5R,9R,10R,13R,17S)-17-acetyl-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5R,9R,10R,13R,17S)-17-acetyl-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5R,9R,10R,13R,17S)-17-ethanoyl-10,13-dimethyl-2,3,14-tris(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C21H30O5
MOLECULAR WEIGHT: 362.4599
SMILES: CC(=O)[C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O
Structure:
CAS RN: 10162-99-9
CAS Name: (2S,3R,5R,9R,10R,13R,17S)-17-acetyl-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5R,9R,10R,13R,17S)-17-acetyl-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5R,9R,10R,13R,17S)-17-acetyl-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5R,9R,10R,13R,17S)-17-ethanoyl-10,13-dimethyl-2,3,14-tris(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C21H30O5
MOLECULAR WEIGHT: 362.4599
SMILES: CC(=O)[C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O
Structure:
CAS RN: 109531-96-6
CAS Name: 2-amino-3-(3,7-dimethyl-2,6-dioxo-8-purinyl)propanoic acid
OPENEYE Name: 2-amino-3-(3,7-dimethyl-2,6-dioxo-purin-8-yl)propanoic acid
IUPAC Name: 2-amino-3-(3,7-dimethyl-2,6-dioxopurin-8-yl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]propanoic acid
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: CN1C(=NC2=C1C(=O)NC(=O)N2C)CC(C(=O)O)N
Structure:
CAS RN: 109466-93-5
CAS Name: 1,5-diamino-2-methylanthracene-9,10-dione
OPENEYE Name: 1,5-diamino-2-methyl-anthracene-9,10-dione
IUPAC Name: 1,5-diamino-2-methylanthracene-9,10-dione
SYSTEMATIC NAME: 1,5-bis(azanyl)-2-methyl-anthracene-9,10-dione
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC=C3N)N
Structure:
CAS RN: 10119-53-6
CAS Name: cerium(3+); octadecanoate
OPENEYE Name: cerium(3+); octadecanoate
IUPAC Name: cerium(3+); octadecanoate
SYSTEMATIC NAME: cerium(3+); octadecanoate
MOLECULAR FORMULA: C54H105CeO6
MOLECULAR WEIGHT: 990.5239
SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ce+3]
Structure:
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