CAS RN: 1574-10-3
CAS Name: [(E)-(phenylmethylene)amino]urea
OPENEYE Name: [(E)-benzylideneamino]urea
IUPAC Name: [(E)-benzylideneamino]urea
SYSTEMATIC NAME: 1-[(E)-(phenylmethylidene)amino]urea
MOLECULAR FORMULA: C8H9N3O
MOLECULAR WEIGHT: 163.17656
SMILES: C1=CC=C(C=C1)/C=N/NC(=O)N
Structure:
CAS RN: 86189-87-9
CAS Name: N-[(E)-(4-fluorophenyl)methylideneamino]-4-pyridinecarboxamide
OPENEYE Name: N-[(E)-(4-fluorophenyl)methyleneamino]pyridine-4-carboxamide
IUPAC Name: N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide
MOLECULAR FORMULA: C13H10FN3O
MOLECULAR WEIGHT: 243.236403
SMILES: C1=CC(=CC=C1/C=N/NC(=O)C2=CC=NC=C2)F
Structure:
CAS RN: 5848-48-6
CAS Name: 1-[(E)-[4-(methylthio)phenyl]methylideneamino]-5-tetrazolamine
OPENEYE Name: 1-[(E)-(4-methylsulfanylphenyl)methyleneamino]tetrazol-5-amine
IUPAC Name: 1-[(E)-(4-methylsulfanylphenyl)methylideneamino]tetrazol-5-amine
SYSTEMATIC NAME: 1-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,2,3,4-tetrazol-5-amine
MOLECULAR FORMULA: C9H10N6S
MOLECULAR WEIGHT: 234.2809
SMILES: CSC1=CC=C(C=C1)/C=N/N2C(=NN=N2)N
Structure:
CAS RN: 215785-47-0
CAS Name: (E)-3-[4-[(2E)-2-[6-[[[[(6E)-6-[[4-[(E)-2-carboxyethenyl]phenyl]hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenyl]amino]-oxomethyl]amino]-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]phenyl]-2-propenoic acid
OPENEYE Name: (E)-3-[4-[(2E)-2-[6-[[(6E)-6-[[4-[(E)-2-carboxyvinyl]phenyl]hydrazono]-5-oxo-7-sulfo-2-naphthyl]carbamoylamino]-1-oxo-3-sulfo-2-naphthylidene]hydrazino]phenyl]prop-2-enoic acid
IUPAC Name: (E)-3-[4-[(2E)-2-[6-[[(6E)-6-[[4-[(E)-2-carboxyethenyl]phenyl]hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[4-[(2E)-2-[1-oxidanylidene-6-[[(6E)-5-oxidanylidene-6-[[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]hydrazinylidene]-7-sulfo-naphthalen-2-yl]carbamoylamino]-3-sulfo-naphthalen-2-ylidene]hydrazinyl]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C39H28N6O13S2
MOLECULAR WEIGHT: 852.80202
SMILES: C1=CC(=CC=C1/C=C/C(=O)O)N/N=C/2\C(=O)C3=C(C=C2S(=O)(=O)O)C=C(C=C3)NC(=O)NC4=CC5=C(C(=O)/C(=N\NC6=CC=C(C=C6)/C=C/C(=O)O)/C(=C5)S(=O)(=O)O)C=C4
Structure:
CAS RN: 23645-17-2
CAS Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol
OPENEYE Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-thioxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
IUPAC Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
SYSTEMATIC NAME: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
MOLECULAR FORMULA: C10H12N5O5PS
MOLECULAR WEIGHT: 345.271541
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=S)(O1)O
Structure:
CAS RN: 18005-42-0
CAS Name: butoxy-hydroxy-methyl-sulfanylidenephosphorane
OPENEYE Name: butoxy-hydroxy-methyl-thioxo-$l^{5}-phosphane
IUPAC Name: butoxy-hydroxy-methyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: butoxy-methyl-oxidanyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C5H13O2PS
MOLECULAR WEIGHT: 168.194281
SMILES: CCCCOP(=S)(C)O
Structure:
CAS RN: 2937-54-4
CAS Name: 2-hydroxysulfonothioylethanamine
OPENEYE Name: 2-hydroxysulfonothioylethanamine
IUPAC Name: 2-hydroxysulfonothioylethanamine
SYSTEMATIC NAME: 2-oxidanylsulfonothioylethanamine
MOLECULAR FORMULA: C2H7NO2S2
MOLECULAR WEIGHT: 141.21248
SMILES: C(CS(=O)(=S)O)N
Structure:
CAS RN: 31999-89-0
CAS Name: 2-hydroxysulfonothioylethanamine
OPENEYE Name: 2-hydroxysulfonothioylethanamine
IUPAC Name: 2-hydroxysulfonothioylethanamine
SYSTEMATIC NAME: 2-oxidanylsulfonothioylethanamine
MOLECULAR FORMULA: C2H7NO2S2
MOLECULAR WEIGHT: 141.21248
SMILES: C(CS(=O)(=S)O)N
Structure:
CAS RN: 65195-56-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H70O14
MOLECULAR WEIGHT: 859.0503
SMILES: C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O
Structure:
CAS RN: 61073-10-7
CAS Name: 4-[hydroxy(phenyl)phosphinothioyl]oxybenzonitrile
OPENEYE Name: 4-[hydroxy(phenyl)phosphinothioyl]oxybenzonitrile
IUPAC Name: 4-[hydroxy(phenyl)phosphinothioyl]oxybenzonitrile
SYSTEMATIC NAME: 4-[oxidanyl(phenyl)phosphinothioyl]oxybenzenecarbonitrile
MOLECULAR FORMULA: C13H10NO2PS
MOLECULAR WEIGHT: 275.262761
SMILES: C1=CC=C(C=C1)P(=S)(O)OC2=CC=C(C=C2)C#N
Structure:
CAS RN: 31328-15-1
CAS Name: 4-[hydroxy(methoxy)phosphinothioyl]oxybenzonitrile
OPENEYE Name: 4-[hydroxy(methoxy)phosphinothioyl]oxybenzonitrile
IUPAC Name: 4-[hydroxy(methoxy)phosphinothioyl]oxybenzonitrile
SYSTEMATIC NAME: 4-[methoxy(oxidanyl)phosphinothioyl]oxybenzenecarbonitrile
MOLECULAR FORMULA: C8H8NO3PS
MOLECULAR WEIGHT: 229.192781
SMILES: COP(=S)(O)OC1=CC=C(C=C1)C#N
Structure:
CAS RN: 29128-95-8
CAS Name: (3E)-5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxo-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
OPENEYE Name: (3E)-5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxo-3-[(2-sulfophenyl)hydrazono]naphthalene-2,7-disulfonic acid
IUPAC Name: (3E)-5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxo-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: (3E)-5-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-4-oxidanylidene-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C25H18ClN7O10S3
MOLECULAR WEIGHT: 708.09932
SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(/C(=N/NC5=CC=CC=C5S(=O)(=O)O)/C4=O)S(=O)(=O)O
Structure:
CAS RN: 15824-31-4
CAS Name: ammonia; sulfurothioic O-acid
OPENEYE Name: ammonia; sulfurothioic O-acid
IUPAC Name: azane; sulfurothioic O-acid
SYSTEMATIC NAME: azane; sulfurothioic O-acid
MOLECULAR FORMULA: H8N2O3S2
MOLECULAR WEIGHT: 148.20512
SMILES: N.N.OS(=O)(=S)O
Structure:
CAS RN: 4197-07-3
CAS Name: (3E)-5-hydroxy-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid
OPENEYE Name: (3E)-5-hydroxy-4-oxo-3-(phenylhydrazono)naphthalene-2,7-disulfonic acid
IUPAC Name: (3E)-5-hydroxy-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: (3E)-5-oxidanyl-4-oxidanylidene-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C16H12N2O8S2
MOLECULAR WEIGHT: 424.40508
SMILES: C1=CC=C(C=C1)N/N=C\2/C(=CC3=CC(=CC(=C3C2=O)O)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 25317-20-8
CAS Name: (3E)-5-acetamido-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid
OPENEYE Name: (3E)-5-acetamido-4-oxo-3-(phenylhydrazono)naphthalene-2,7-disulfonic acid
IUPAC Name: (3E)-5-acetamido-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: (3E)-5-acetamido-4-oxidanylidene-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C18H15N3O8S2
MOLECULAR WEIGHT: 465.457
SMILES: CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(/C(=N/NC3=CC=CC=C3)/C2=O)S(=O)(=O)O
Structure:
CAS RN: 25180-12-5
CAS Name: (3E)-6-amino-3-[[4-(4-aminophenyl)azo-2-methoxy-5-methylphenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid
OPENEYE Name: (3E)-6-amino-3-[[4-(4-aminophenyl)azo-2-methoxy-5-methyl-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonic acid
IUPAC Name: (3E)-6-amino-3-[[4-[(4-aminophenyl)diazenyl]-2-methoxy-5-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid
SYSTEMATIC NAME: (3E)-3-[[4-[(4-aminophenyl)diazenyl]-2-methoxy-5-methyl-phenyl]hydrazinylidene]-6-azanyl-4-oxidanylidene-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C24H22N6O5S
MOLECULAR WEIGHT: 506.53368
SMILES: CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)N)OC)N/N=C\3/C(=CC4=C(C3=O)C=C(C=C4)N)S(=O)(=O)O
Structure:
CAS RN: 13758-27-5
CAS Name: N-[(1R,4S,7R,11S,14R,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-20-[[oxo(2-quinoxalinyl)methyl]amino]-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]-2-quinoxalinecarboxamide
OPENEYE Name: N-[(1R,4S,7R,11S,14R,17S,20R,24S)-11,24-diisopropyl-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide
IUPAC Name: N-[(1R,4S,7R,11S,14R,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide
SYSTEMATIC NAME: N-[(1R,4S,7R,11S,14R,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octakis(oxidanylidene)-11,24-di(propan-2-yl)-20-(quinoxalin-2-ylcarbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-c
MOLECULAR FORMULA: C50H62N12O12S2
MOLECULAR WEIGHT: 1087.23048
SMILES: C[C@H]1C(=O)N([C@H]2CSSC[C@@H](C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)C
Structure:
CAS RN: 835876-32-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H27NO7
MOLECULAR WEIGHT: 441.47368
SMILES: C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C=C4)(C)CCC(=O)NC5=C(C=CC(=C5O)C(=O)O)O)O2
Structure:
CAS RN: 898249-77-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H27NO7
MOLECULAR WEIGHT: 441.47368
SMILES: C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C=C4)(C)CCC(=O)NC5=C(C=CC(=C5O)C(=O)O)O)O2
Structure:
CAS RN: 618903-56-3
CAS Name: (8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,13S,14S,17S)-13,17-diethyl-17-oxidanyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O
Structure:
CAS RN: 77-42-9
CAS Name: (Z)-2-methyl-5-[(1R,3R,4S)-3-methyl-2-methylene-3-bicyclo[2.2.1]heptanyl]-2-penten-1-ol
OPENEYE Name: (Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylene-norbornan-2-yl]pent-2-en-1-ol
IUPAC Name: (Z)-2-methyl-5-[(1R,3R,4S)-3-methyl-2-methylidene-3-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
SYSTEMATIC NAME: (Z)-2-methyl-5-[(1R,3R,4S)-3-methyl-2-methylidene-3-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: C/C(=C/CC[C@@]1([C@H]2CC[C@H](C2)C1=C)C)/CO
Structure:
CAS RN: 37172-31-9
CAS Name: (Z)-2-methyl-5-[(1R,3R,4S)-3-methyl-2-methylene-3-bicyclo[2.2.1]heptanyl]-2-penten-1-ol
OPENEYE Name: (Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylene-norbornan-2-yl]pent-2-en-1-ol
IUPAC Name: (Z)-2-methyl-5-[(1R,3R,4S)-3-methyl-2-methylidene-3-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
SYSTEMATIC NAME: (Z)-2-methyl-5-[(1R,3R,4S)-3-methyl-2-methylidene-3-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: C/C(=C/CC[C@@]1([C@H]2CC[C@H](C2)C1=C)C)/CO
Structure:
CAS RN: 79982-56-2
CAS Name: dichloroosmium; 2-(2-pyridinyl)pyridine
OPENEYE Name: dichloroosmium; 2-(2-pyridyl)pyridine
IUPAC Name: dichloroosmium; 2-pyridin-2-ylpyridine
SYSTEMATIC NAME: bis(chloranyl)osmium; 2-pyridin-2-ylpyridine
MOLECULAR FORMULA: C20H16Cl2N4Os
MOLECULAR WEIGHT: 573.50384
SMILES: C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.Cl[Os]Cl
Structure:
CAS RN: 50864-67-0
CAS Name: barium(2+) sulfide
OPENEYE Name: barium(2+) sulfide
IUPAC Name: barium(2+) sulfide
SYSTEMATIC NAME: barium(2+) sulfide
MOLECULAR FORMULA: BaS
MOLECULAR WEIGHT: 169.392
SMILES: [S-2].[Ba+2]
Structure:
CAS RN: 97560-32-2
CAS Name: barium(2+) sulfide
OPENEYE Name: barium(2+) sulfide
IUPAC Name: barium(2+) sulfide
SYSTEMATIC NAME: barium(2+) sulfide
MOLECULAR FORMULA: BaS
MOLECULAR WEIGHT: 169.392
SMILES: [S-2].[Ba+2]
Structure:
CAS RN: 56-45-1
CAS Name: (2S)-2-ammonio-3-hydroxypropanoate
OPENEYE Name: (2S)-2-azaniumyl-3-hydroxy-propanoate
IUPAC Name: (2S)-2-azaniumyl-3-hydroxypropanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-3-oxidanyl-propanoate
MOLECULAR FORMULA: C3H7NO3
MOLECULAR WEIGHT: 105.09258
SMILES: C([C@@H](C(=O)[O-])[NH3+])O
Structure:
CAS RN: 28144-27-6
CAS Name: (2S,3R,4S,5R,6S)-6-[[(2S,3R,4R,5R,6S)-2-carboxy-4,5,6-trihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxy-4,5,6-trihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxy-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C12H18O13
MOLECULAR WEIGHT: 370.26352
SMILES: [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O)O)O)C(=O)O)O)O
Structure:
CAS RN: 444885-30-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H67N5O8S
MOLECULAR WEIGHT: 826.09648
SMILES: CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@@H](C[C@H](C[C@@H]([C@@H](C3=N[C@H](CS3)/C=C(/C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C)C)CC4=CC=C(C=C4)OC)\C)C)O)C)C(C)C
Structure:
CAS RN: 481-21-0
CAS Name: (8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: (8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: (8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C27H48
MOLECULAR WEIGHT: 372.67002
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCCC4)C)C
Structure:
CAS RN: 131-48-6
CAS Name: (4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate
OPENEYE Name: (4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate
IUPAC Name: (4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
SYSTEMATIC NAME: (4S,5R,6R)-5-acetamido-2,4-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate
MOLECULAR FORMULA: C11H18NO9-
MOLECULAR WEIGHT: 308.26192
SMILES: CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])O)O
Structure:
CAS RN: 31571-69-4
CAS Name: (2S,3S)-2-amino-3-methylbutanedioate
OPENEYE Name: (2S,3S)-2-amino-3-methyl-butanedioate
IUPAC Name: (2S,3S)-2-amino-3-methylbutanedioate
SYSTEMATIC NAME: (2S,3S)-2-azanyl-3-methyl-butanedioate
MOLECULAR FORMULA: C5H7NO4-2
MOLECULAR WEIGHT: 145.11338
SMILES: C[C@@H]([C@@H](C(=O)[O-])N)C(=O)[O-]
Structure:
CAS RN: 77136-31-3
CAS Name: 2-(2-hydroxyphenyl)benzenesulfinate
OPENEYE Name: 2-(2-hydroxyphenyl)benzenesulfinate
IUPAC Name: 2-(2-hydroxyphenyl)benzenesulfinate
SYSTEMATIC NAME: 2-(2-hydroxyphenyl)benzenesulfinate
MOLECULAR FORMULA: C12H9O3S-
MOLECULAR WEIGHT: 233.26306
SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2S(=O)[O-])O
Structure:
CAS RN: 1668-08-2
CAS Name: (3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2-oxolanone
OPENEYE Name: (3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one
IUPAC Name: (3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
SYSTEMATIC NAME: (3S,4S,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one
MOLECULAR FORMULA: C6H10O6
MOLECULAR WEIGHT: 178.14
SMILES: C([C@@H]([C@@H]1[C@H]([C@@H](C(=O)O1)O)O)O)O
Structure:
CAS RN: 2577-18-6
CAS Name: 2,6-dioxo-3,7-dihydropurine-8-carboxylate
OPENEYE Name: 2,6-dioxo-3,7-dihydropurine-8-carboxylate
IUPAC Name: 2,6-dioxo-3,7-dihydropurine-8-carboxylate
SYSTEMATIC NAME: 2,6-bis(oxidanylidene)-3,7-dihydropurine-8-carboxylate
MOLECULAR FORMULA: C6H3N4O4-
MOLECULAR WEIGHT: 195.11242
SMILES: C12=C(NC(=O)NC1=O)N=C(N2)C(=O)[O-]
Structure:
CAS RN: 17029-36-6
CAS Name: [(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-3,5-dihydroxy-4-oxanyl] dihydrogen phosphate
OPENEYE Name: [(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-3,5-dihydroxy-tetrahydropyran-4-yl] dihydrogen phosphate
IUPAC Name: [(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxan-4-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-3-[(2S,3R,4S,5S,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl] dihydrogen phosphate
MOLECULAR FORMULA: C18H37N4O14P
MOLECULAR WEIGHT: 564.478541
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)OP(=O)(O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N
Structure:
CAS RN: 59092-96-5
CAS Name: (2S)-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxo-1'-spiro[benzofuran-2,6'-cyclohexa-1,4-diene]carboxylic acid methyl ester
OPENEYE Name: methyl (2S)-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxo-spiro[benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
IUPAC Name: methyl (2S)-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
SYSTEMATIC NAME: methyl (2S)-5'-methoxy-6-methyl-4-oxidanyl-3,3'-bis(oxidanylidene)spiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
MOLECULAR FORMULA: C17H14O7
MOLECULAR WEIGHT: 330.28886
SMILES: CC1=CC2=C(C(=C1)O)C(=O)[C@]3(O2)C(=CC(=O)C=C3OC)C(=O)OC
Structure:
CAS RN: 59187-35-8
CAS Name: (2R)-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxo-1'-spiro[benzofuran-2,6'-cyclohexa-1,4-diene]carboxylic acid methyl ester
OPENEYE Name: methyl (2R)-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxo-spiro[benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
IUPAC Name: methyl (2R)-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
SYSTEMATIC NAME: methyl (2R)-5'-methoxy-6-methyl-4-oxidanyl-3,3'-bis(oxidanylidene)spiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
MOLECULAR FORMULA: C17H14O7
MOLECULAR WEIGHT: 330.28886
SMILES: CC1=CC2=C(C(=C1)O)C(=O)[C@@]3(O2)C(=CC(=O)C=C3OC)C(=O)OC
Structure:
CAS RN: 5773-79-5
CAS Name: (2Z)-3-(4-hydroxyphenyl)-2-[(2-oxo-3-indolyl)hydrazinylidene]-4-thiazolidinone
OPENEYE Name: (2Z)-3-(4-hydroxyphenyl)-2-[(2-oxoindol-3-yl)hydrazono]thiazolidin-4-one
IUPAC Name: (2Z)-3-(4-hydroxyphenyl)-2-[(2-oxoindol-3-yl)hydrazinylidene]-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (2Z)-3-(4-hydroxyphenyl)-2-[(2-oxidanylideneindol-3-yl)hydrazinylidene]-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C17H12N4O3S
MOLECULAR WEIGHT: 352.36718
SMILES: C1C(=O)N(/C(=N/NC2=C3C=CC=CC3=NC2=O)/S1)C4=CC=C(C=C4)O
Structure:
CAS RN: 71592-42-2
CAS Name: 1,1-diethyl-3-[(E)-1-(2-pyridinyl)ethylideneamino]thiourea
OPENEYE Name: 1,1-diethyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea
IUPAC Name: 1,1-diethyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
SYSTEMATIC NAME: 1,1-diethyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
MOLECULAR FORMULA: C12H18N4S
MOLECULAR WEIGHT: 250.36312
SMILES: CCN(CC)C(=S)N/N=C(\C)/C1=CC=CC=N1
Structure:
No comments:
Post a Comment