Thursday, August 8, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 3-methoxypropanoate
CAS Name: 3-methoxypropanoic acid [2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 3-methoxypropanoate
SYSTEMATIC NAME: [2-oxidanylidene-2-[6,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] 3-methoxypropanoate
MOLECULAR FORMULA: C26H36O7
MOLECULAR WEIGHT: 460.55984
SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCOC)O
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Product OPENEYE NAME: [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 2-methoxyacetate
CAS Name: 2-methoxyacetic acid [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2-methoxyacetate
SYSTEMATIC NAME: [2-[10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 2-methoxyethanoate
MOLECULAR FORMULA: C24H32O7
MOLECULAR WEIGHT: 432.50668
SMILES: CC12CC(C3C(C1CCC2(C(=O)COC(=O)COC)O)CCC4=CC(=O)C=CC34C)O
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Product OPENEYE NAME: [17-(2-acetoxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-methoxyacetate
CAS Name: 2-methoxyacetic acid [17-(2-acetyloxy-1-oxoethyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-methoxyacetate
SYSTEMATIC NAME: [17-(2-acetyloxyethanoyl)-6,10,13-trimethyl-11-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-methoxyethanoate
MOLECULAR FORMULA: C27H38O8
MOLECULAR WEIGHT: 490.58582
SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)(C(=O)COC(=O)C)OC(=O)COC
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Product OPENEYE NAME: [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 2-ethoxyacetate
CAS Name: 2-ethoxyacetic acid [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2-ethoxyacetate
SYSTEMATIC NAME: [2-[10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 2-ethoxyethanoate
MOLECULAR FORMULA: C25H34O7
MOLECULAR WEIGHT: 446.53326
SMILES: CCOCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O
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Product OPENEYE NAME: [11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-ethoxyacetate
CAS Name: 2-ethoxyacetic acid [11-hydroxy-17-(2-hydroxy-1-oxoethyl)-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-ethoxyacetate
SYSTEMATIC NAME: [6,10,13-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-ethoxyethanoate
MOLECULAR FORMULA: C26H38O7
MOLECULAR WEIGHT: 462.57572
SMILES: CCOCC(=O)OC1(CCC2C1(CC(C3C2CC(C4=CC(=O)CCC34C)C)O)C)C(=O)CO
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Product OPENEYE NAME: [11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-methoxyacetate
CAS Name: 2-methoxyacetic acid [11-hydroxy-17-(2-hydroxy-1-oxoethyl)-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-methoxyacetate
SYSTEMATIC NAME: [6,10,13-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-methoxyethanoate
MOLECULAR FORMULA: C25H36O7
MOLECULAR WEIGHT: 448.54914
SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)(C(=O)CO)OC(=O)COC
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Product OPENEYE NAME: [11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 2-ethoxyacetate
CAS Name: 2-ethoxyacetic acid [11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 2-ethoxyacetate
SYSTEMATIC NAME: [10,13-dimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 2-ethoxyethanoate
MOLECULAR FORMULA: C25H34O7
MOLECULAR WEIGHT: 446.53326
SMILES: CCOCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)CO
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Product OPENEYE NAME: [17-(2-acetoxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-methoxypropanoate
CAS Name: 3-methoxypropanoic acid [17-(2-acetyloxy-1-oxoethyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-methoxypropanoate
SYSTEMATIC NAME: [17-(2-acetyloxyethanoyl)-6,10,13-trimethyl-11-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-methoxypropanoate
MOLECULAR FORMULA: C28H40O8
MOLECULAR WEIGHT: 504.6124
SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)(C(=O)COC(=O)C)OC(=O)CCOC
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Product OPENEYE NAME: [11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 3-methoxypropanoate
CAS Name: 3-methoxypropanoic acid [11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 3-methoxypropanoate
SYSTEMATIC NAME: [10,13-dimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 3-methoxypropanoate
MOLECULAR FORMULA: C25H34O7
MOLECULAR WEIGHT: 446.53326
SMILES: CC12CC(C3C(C1CCC2(C(=O)CO)OC(=O)CCOC)CCC4=CC(=O)C=CC34C)O
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Product OPENEYE NAME: [17-(2-acetoxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 3-methoxypropanoate
CAS Name: 3-methoxypropanoic acid [17-(2-acetyloxy-1-oxoethyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [17-(2-acetyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 3-methoxypropanoate
SYSTEMATIC NAME: [17-(2-acetyloxyethanoyl)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 3-methoxypropanoate
MOLECULAR FORMULA: C27H36O8
MOLECULAR WEIGHT: 488.56994
SMILES: CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)CCOC
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Product OPENEYE NAME: [2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 2-methoxyacetate
CAS Name: 2-methoxyacetic acid [2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2-methoxyacetate
SYSTEMATIC NAME: [2-oxidanylidene-2-[6,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 2-methoxyethanoate
MOLECULAR FORMULA: C25H36O7
MOLECULAR WEIGHT: 448.54914
SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)(C(=O)COC(=O)COC)O
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Product OPENEYE NAME: ethyl 9-methoxy-6-methyl-benzo[b][1,4]benzoxazepine-3-carboxylate hydrochloride
CAS Name: 9-methoxy-6-methyl-3-benzo[b][1,4]benzoxazepinecarboxylic acid ethyl ester hydrochloride
IUPAC NAME: ethyl 9-methoxy-6-methylbenzo[b][1,4]benzoxazepine-3-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 9-methoxy-6-methyl-benzo[b][1,4]benzoxazepine-3-carboxylate hydrochloride
MOLECULAR FORMULA: C18H18ClNO4
MOLECULAR WEIGHT: 347.79282
SMILES: CCOC(=O)C1=CC2=C(C=C1)OC3=C(C=CC(=C3)OC)C(=N2)C.Cl
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Product OPENEYE NAME: 6-(4-methoxyphenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine
CAS Name: 6-(4-methoxyphenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine
IUPAC NAME: 6-(4-methoxyphenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine
SYSTEMATIC NAME: 6-(4-methoxyphenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine
MOLECULAR FORMULA: C17H20N2O
MOLECULAR WEIGHT: 268.3535
SMILES: COC1=CC=C(C=C1)C2C3=CC=CC=C3CNCCN2
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Product OPENEYE NAME: 1-benzoyl-3-(sulfinatoamino)benzene
CAS Name: 1-benzoyl-3-(sulfinatoamino)benzene
IUPAC NAME: 1-benzoyl-3-(sulfinatoamino)benzene
SYSTEMATIC NAME: 1-(phenylcarbonyl)-3-(sulfinatoamino)benzene
MOLECULAR FORMULA: C13H10NO3S-
MOLECULAR WEIGHT: 260.2884
SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NS(=O)[O-]
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Product OPENEYE NAME: 1-benzoyl-3-(sulfinoamino)benzene
CAS Name: 1-benzoyl-3-(sulfinoamino)benzene
IUPAC NAME: 1-benzoyl-3-(sulfinoamino)benzene
SYSTEMATIC NAME: 1-(phenylcarbonyl)-3-(sulfinoamino)benzene
MOLECULAR FORMULA: C13H11NO3S
MOLECULAR WEIGHT: 261.29634
SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NS(=O)O
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Product OPENEYE NAME: [3-(isopropylsulfamoylamino)phenyl]-(4-methoxyphenyl)methanone oxime
CAS Name: (4-methoxyphenyl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone oxime
IUPAC NAME: (NE)-N-[(4-methoxyphenyl)-[3-(propan-2-ylsulfamoylamino)phenyl]methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(4-methoxyphenyl)-[3-(propan-2-ylsulfamoylamino)phenyl]methylidene]hydroxylamine
MOLECULAR FORMULA: C17H21N3O4S
MOLECULAR WEIGHT: 363.43134
SMILES: CC(C)NS(=O)(=O)NC1=CC=CC(=C1)/C(=N/O)/C2=CC=C(C=C2)OC
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Product OPENEYE NAME: 4-[(Z)-C-[3-(dimethylsulfamoylamino)phenyl]-N-hydroxy-carbonimidoyl]-1,2-dimethoxy-benzene
CAS Name: 4-[(Z)-[3-(dimethylsulfamoylamino)phenyl]-hydroxyiminomethyl]-1,2-dimethoxybenzene
IUPAC NAME: 4-[(Z)-C-[3-(dimethylsulfamoylamino)phenyl]-N-hydroxycarbonimidoyl]-1,2-dimethoxybenzene
SYSTEMATIC NAME: 4-[(Z)-C-[3-(dimethylsulfamoylamino)phenyl]-N-oxidanyl-carbonimidoyl]-1,2-dimethoxy-benzene
MOLECULAR FORMULA: C17H21N3O5S
MOLECULAR WEIGHT: 379.43074
SMILES: CN(C)S(=O)(=O)NC1=CC=CC(=C1)/C(=N/O)/C2=CC(=C(C=C2)OC)OC
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