Wednesday, July 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(4-nitrophenyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(4-nitrophenyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(4-nitrophenyl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-4-ethanoyl-5-(4-nitrophenyl)oxolan-2-one
MOLECULAR FORMULA: C12H11NO5
MOLECULAR WEIGHT: 249.21944
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(p-tolyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(4-methylphenyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(4-methylphenyl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-4-ethanoyl-5-(4-methylphenyl)oxolan-2-one
MOLECULAR FORMULA: C13H14O3
MOLECULAR WEIGHT: 218.24846
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H](CC(=O)O2)C(=O)C
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(4-methoxyphenyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(4-methoxyphenyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(4-methoxyphenyl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-4-ethanoyl-5-(4-methoxyphenyl)oxolan-2-one
MOLECULAR FORMULA: C13H14O4
MOLECULAR WEIGHT: 234.24786
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC=C(C=C2)OC
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(2,6-dichlorophenyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(2,6-dichlorophenyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-5-[2,6-bis(chloranyl)phenyl]-4-ethanoyl-oxolan-2-one
MOLECULAR FORMULA: C12H10Cl2O3
MOLECULAR WEIGHT: 273.112
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=C(C=CC=C2Cl)Cl
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(2-chloro-6-fluoro-phenyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(2-chloro-6-fluorophenyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(2-chloro-6-fluorophenyl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-5-(2-chloranyl-6-fluoranyl-phenyl)-4-ethanoyl-oxolan-2-one
MOLECULAR FORMULA: C12H10ClFO3
MOLECULAR WEIGHT: 256.657403
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=C(C=CC=C2Cl)F
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(3,4-dimethoxyphenyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(3,4-dimethoxyphenyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-5-(3,4-dimethoxyphenyl)-4-ethanoyl-oxolan-2-one
MOLECULAR FORMULA: C14H16O5
MOLECULAR WEIGHT: 264.27384
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC(=C(C=C2)OC)OC
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(1,3-benzodioxol-5-yl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(1,3-benzodioxol-5-yl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(1,3-benzodioxol-5-yl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-5-(1,3-benzodioxol-5-yl)-4-ethanoyl-oxolan-2-one
MOLECULAR FORMULA: C13H12O5
MOLECULAR WEIGHT: 248.23138
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(2,4,5-trimethoxyphenyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(2,4,5-trimethoxyphenyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(2,4,5-trimethoxyphenyl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-4-ethanoyl-5-(2,4,5-trimethoxyphenyl)oxolan-2-one
MOLECULAR FORMULA: C15H18O6
MOLECULAR WEIGHT: 294.29982
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC(=C(C=C2OC)OC)OC
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(2-thienyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-thiophen-2-yl-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-thiophen-2-yloxolan-2-one
SYSTEMATIC NAME: (4S,5S)-4-ethanoyl-5-thiophen-2-yl-oxolan-2-one
MOLECULAR FORMULA: C10H10O3S
MOLECULAR WEIGHT: 210.2496
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC=CS2
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Product OPENEYE NAME: (4S,5S)-4-acetyl-5-(2-furyl)tetrahydrofuran-2-one
CAS Name: (4S,5S)-4-acetyl-5-(2-furanyl)-2-oxolanone
IUPAC NAME: (4S,5S)-4-acetyl-5-(furan-2-yl)oxolan-2-one
SYSTEMATIC NAME: (4S,5S)-4-ethanoyl-5-(furan-2-yl)oxolan-2-one
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC=CO2
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Product OPENEYE NAME: (4S,5R)-4-acetyl-5-cyclohexyl-tetrahydrofuran-2-one
CAS Name: (4S,5R)-4-acetyl-5-cyclohexyl-2-oxolanone
IUPAC NAME: (4S,5R)-4-acetyl-5-cyclohexyloxolan-2-one
SYSTEMATIC NAME: (4S,5R)-5-cyclohexyl-4-ethanoyl-oxolan-2-one
MOLECULAR FORMULA: C12H18O3
MOLECULAR WEIGHT: 210.26952
SMILES: CC(=O)[C@H]1CC(=O)O[C@@H]1C2CCCCC2
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Product OPENEYE NAME: (4R)-4-[(S)-hydroxy(phenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-hydroxy(phenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-hydroxy(phenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-3-methyl-4-[(S)-oxidanyl(phenyl)methyl]-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC=CC=C2)O
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Product OPENEYE NAME: (4R)-4-[(S)-(2-chlorophenyl)-hydroxy-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-(2-chlorophenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-(2-chlorophenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-4-[(S)-(2-chlorophenyl)-oxidanyl-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H13ClN2O2
MOLECULAR WEIGHT: 252.69682
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC=CC=C2Cl)O
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Product OPENEYE NAME: (4R)-4-[(S)-(2-fluorophenyl)-hydroxy-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-(2-fluorophenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-(2-fluorophenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-4-[(S)-(2-fluorophenyl)-oxidanyl-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H13FN2O2
MOLECULAR WEIGHT: 236.242223
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC=CC=C2F)O
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Product OPENEYE NAME: (4R)-4-[(S)-hydroxy-(2-nitrophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-hydroxy-(2-nitrophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-hydroxy-(2-nitrophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-3-methyl-4-[(S)-(2-nitrophenyl)-oxidanyl-methyl]-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H13N3O4
MOLECULAR WEIGHT: 263.24932
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC=CC=C2[N+](=O)[O-])O
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Product OPENEYE NAME: (4R)-4-[(S)-(3-chlorophenyl)-hydroxy-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-(3-chlorophenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-(3-chlorophenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-4-[(S)-(3-chlorophenyl)-oxidanyl-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H13ClN2O2
MOLECULAR WEIGHT: 252.69682
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC(=CC=C2)Cl)O
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Product OPENEYE NAME: (4R)-4-[(S)-hydroxy-(3-nitrophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-hydroxy-(3-nitrophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-hydroxy-(3-nitrophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-3-methyl-4-[(S)-(3-nitrophenyl)-oxidanyl-methyl]-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H13N3O4
MOLECULAR WEIGHT: 263.24932
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC(=CC=C2)[N+](=O)[O-])O
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Product OPENEYE NAME: (4R)-4-[(S)-hydroxy-[3-(trifluoromethyl)phenyl]methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-hydroxy-[3-(trifluoromethyl)phenyl]methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-hydroxy-[3-(trifluoromethyl)phenyl]methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-3-methyl-4-[(S)-oxidanyl-[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C13H13F3N2O2
MOLECULAR WEIGHT: 286.24973
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC(=CC=C2)C(F)(F)F)O
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Product OPENEYE NAME: (4R)-4-[(S)-(4-chlorophenyl)-hydroxy-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-(4-chlorophenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-(4-chlorophenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-4-[(S)-(4-chlorophenyl)-oxidanyl-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H13ClN2O2
MOLECULAR WEIGHT: 252.69682
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC=C(C=C2)Cl)O
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Product OPENEYE NAME: (4R)-4-[(S)-(4-fluorophenyl)-hydroxy-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-(4-fluorophenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-(4-fluorophenyl)-hydroxymethyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-4-[(S)-(4-fluorophenyl)-oxidanyl-methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H13FN2O2
MOLECULAR WEIGHT: 236.242223
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC=C(C=C2)F)O
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Product OPENEYE NAME: (4R)-4-[(S)-hydroxy-(4-nitrophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
CAS Name: (4R)-4-[(S)-hydroxy-(4-nitrophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC NAME: (4R)-4-[(S)-hydroxy-(4-nitrophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: (4R)-3-methyl-4-[(S)-(4-nitrophenyl)-oxidanyl-methyl]-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C12H13N3O4
MOLECULAR WEIGHT: 263.24932
SMILES: CC1=NNC(=O)C[C@H]1[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O
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