Wednesday, July 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-phenyl-3-[(2S)-tetrahydropyran-2-yl]oxy-propan-1-one
CAS Name: 3-[[(2S)-2-oxanyl]oxy]-1-phenyl-1-propanone
IUPAC NAME: 3-[(2S)-oxan-2-yl]oxy-1-phenylpropan-1-one
SYSTEMATIC NAME: 3-[(2S)-oxan-2-yl]oxy-1-phenyl-propan-1-one
MOLECULAR FORMULA: C14H18O3
MOLECULAR WEIGHT: 234.29092
SMILES: C1CCO[C@H](C1)OCCC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [(6R,7S,8R,9R)-6,7,8-triacetoxy-1-hydroxy-1-phenyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl acetate
CAS Name: acetic acid [(6R,7S,8R,9R)-6,7,8-triacetyloxy-1-hydroxy-1-phenyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl ester
IUPAC NAME: [(6R,7S,8R,9R)-6,7,8-triacetyloxy-1-hydroxy-1-phenyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl acetate
SYSTEMATIC NAME: [(6R,7S,8R,9R)-6,7,8-triacetyloxy-1-oxidanyl-1-phenyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl ethanoate
MOLECULAR FORMULA: C23H28O11
MOLECULAR WEIGHT: 480.46182
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C2(O1)C(CCO2)(C3=CC=CC=C3)O)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: 3-[[(2S)-3,4-dihydro-2H-pyran-2-yl]oxy]-1-phenyl-propan-1-one
CAS Name: 3-[[(2S)-3,4-dihydro-2H-pyran-2-yl]oxy]-1-phenyl-1-propanone
IUPAC NAME: 3-[[(2S)-3,4-dihydro-2H-pyran-2-yl]oxy]-1-phenylpropan-1-one
SYSTEMATIC NAME: 3-[[(2S)-3,4-dihydro-2H-pyran-2-yl]oxy]-1-phenyl-propan-1-one
MOLECULAR FORMULA: C14H16O3
MOLECULAR WEIGHT: 232.27504
SMILES: C1C[C@H](OC=C1)OCCC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 1-phenyl-4,10-dioxaspiro[4.5]decan-1-ol
CAS Name: 1-phenyl-4,10-dioxaspiro[4.5]decan-1-ol
IUPAC NAME: 1-phenyl-4,10-dioxaspiro[4.5]decan-1-ol
SYSTEMATIC NAME: 1-phenyl-4,10-dioxaspiro[4.5]decan-1-ol
MOLECULAR FORMULA: C14H18O3
MOLECULAR WEIGHT: 234.29092
SMILES: C1CCOC2(C1)C(CCO2)(C3=CC=CC=C3)O
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Product OPENEYE NAME: 1-phenyl-4,10-dioxaspiro[4.5]dec-8-en-1-ol
CAS Name: 1-phenyl-4,10-dioxaspiro[4.5]dec-8-en-1-ol
IUPAC NAME: 1-phenyl-4,10-dioxaspiro[4.5]dec-8-en-1-ol
SYSTEMATIC NAME: 1-phenyl-4,10-dioxaspiro[4.5]dec-8-en-1-ol
MOLECULAR FORMULA: C14H16O3
MOLECULAR WEIGHT: 232.27504
SMILES: C1CC2(C(CCO2)(C3=CC=CC=C3)O)OC=C1
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C14H16O3
MOLECULAR WEIGHT: 232.27504
SMILES: C1C[C@H]2OCC[C@]3([C@@H]1[C@@H](O2)O3)C4=CC=CC=C4
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Product OPENEYE NAME:
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IUPAC NAME:
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MOLECULAR FORMULA: C14H16O3
MOLECULAR WEIGHT: 232.27504
SMILES: C1C[C@H]2O[C@@]3(CCO[C@]3(C1)O2)C4=CC=CC=C4
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Product OPENEYE NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(3-oxo-3-phenyl-propoxy)tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(3-oxo-3-phenylpropoxy)-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(3-oxo-3-phenylpropoxy)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(3-oxidanylidene-3-phenyl-propoxy)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C23H28O11
MOLECULAR WEIGHT: 480.46182
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCC(=O)C2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-(3-oxo-3-phenyl-propoxy)tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(3-oxo-3-phenylpropoxy)-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(3-oxo-3-phenylpropoxy)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(3-oxidanylidene-3-phenyl-propoxy)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C23H28O11
MOLECULAR WEIGHT: 480.46182
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCCC(=O)C2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: 1-phenyl-3-vinyloxy-propan-1-one
CAS Name: 3-ethenoxy-1-phenyl-1-propanone
IUPAC NAME: 3-ethenoxy-1-phenylpropan-1-one
SYSTEMATIC NAME: 3-ethenoxy-1-phenyl-propan-1-one
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: C=COCCC(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 3-hydrazino-3,4-dimethyl-furo[3,4-c]quinolin-1-one
CAS Name: 3-hydrazinyl-3,4-dimethyl-1-furo[3,4-c]quinolinone
IUPAC NAME: 3-hydrazinyl-3,4-dimethylfuro[3,4-c]quinolin-1-one
SYSTEMATIC NAME: 3-diazanyl-3,4-dimethyl-furo[3,4-c]quinolin-1-one
MOLECULAR FORMULA: C13H13N3O2
MOLECULAR WEIGHT: 243.26122
SMILES: CC1=NC2=CC=CC=C2C3=C1C(OC3=O)(C)NN
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Product OPENEYE NAME: quinoline-3,4-dicarbaldehyde
CAS Name: quinoline-3,4-dicarboxaldehyde
IUPAC NAME: quinoline-3,4-dicarbaldehyde
SYSTEMATIC NAME: quinoline-3,4-dicarbaldehyde
MOLECULAR FORMULA: C11H7NO2
MOLECULAR WEIGHT: 185.17878
SMILES: C1=CC=C2C(=C1)C(=C(C=N2)C=O)C=O
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Product OPENEYE NAME: 2-methylquinoline-3,4-dicarbaldehyde
CAS Name: 2-methylquinoline-3,4-dicarboxaldehyde
IUPAC NAME: 2-methylquinoline-3,4-dicarbaldehyde
SYSTEMATIC NAME: 2-methylquinoline-3,4-dicarbaldehyde
MOLECULAR FORMULA: C12H9NO2
MOLECULAR WEIGHT: 199.20536
SMILES: CC1=NC2=CC=CC=C2C(=C1C=O)C=O
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Product OPENEYE NAME: (3E)-1-phenyl-2-thioxo-pyridine-3-carbaldehyde oxime
CAS Name: (3E)-1-phenyl-2-sulfanylidene-3-pyridinecarboxaldehyde oxime
IUPAC NAME: 3-[(E)-hydroxyiminomethyl]-1-phenylpyridine-2-thione
SYSTEMATIC NAME: 3-[(E)-hydroxyiminomethyl]-1-phenyl-pyridine-2-thione
MOLECULAR FORMULA: C12H10N2OS
MOLECULAR WEIGHT: 230.2856
SMILES: C1=CC=C(C=C1)N2C=CC=C(C2=S)/C=N/O
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Product OPENEYE NAME: (3E)-1-(2,6-dichlorophenyl)-2-thioxo-pyridine-3-carbaldehyde oxime
CAS Name: (3E)-1-(2,6-dichlorophenyl)-2-sulfanylidene-3-pyridinecarboxaldehyde oxime
IUPAC NAME: 1-(2,6-dichlorophenyl)-3-[(E)-hydroxyiminomethyl]pyridine-2-thione
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)phenyl]-3-[(E)-hydroxyiminomethyl]pyridine-2-thione
MOLECULAR FORMULA: C12H8Cl2N2OS
MOLECULAR WEIGHT: 299.17572
SMILES: C1=CC(=C(C(=C1)Cl)N2C=CC=C(C2=S)/C=N/O)Cl
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Product OPENEYE NAME: (3E)-1-(4-nitrophenyl)-2-thioxo-pyridine-3-carbaldehyde oxime
CAS Name: (3E)-1-(4-nitrophenyl)-2-sulfanylidene-3-pyridinecarboxaldehyde oxime
IUPAC NAME: 3-[(E)-hydroxyiminomethyl]-1-(4-nitrophenyl)pyridine-2-thione
SYSTEMATIC NAME: 3-[(E)-hydroxyiminomethyl]-1-(4-nitrophenyl)pyridine-2-thione
MOLECULAR FORMULA: C12H9N3O3S
MOLECULAR WEIGHT: 275.28316
SMILES: C1=CN(C(=S)C(=C1)/C=N/O)C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: (3E)-1-[4-(dimethylamino)phenyl]-2-thioxo-pyridine-3-carbaldehyde oxime
CAS Name: (3E)-1-[4-(dimethylamino)phenyl]-2-sulfanylidene-3-pyridinecarboxaldehyde oxime
IUPAC NAME: 1-[4-(dimethylamino)phenyl]-3-[(E)-hydroxyiminomethyl]pyridine-2-thione
SYSTEMATIC NAME: 1-[4-(dimethylamino)phenyl]-3-[(E)-hydroxyiminomethyl]pyridine-2-thione
MOLECULAR FORMULA: C14H15N3OS
MOLECULAR WEIGHT: 273.3534
SMILES: CN(C)C1=CC=C(C=C1)N2C=CC=C(C2=S)/C=N/O
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Product OPENEYE NAME: (3E)-1-(2-fluorophenyl)-2-thioxo-pyridine-3-carbaldehyde oxime
CAS Name: (3E)-1-(2-fluorophenyl)-2-sulfanylidene-3-pyridinecarboxaldehyde oxime
IUPAC NAME: 1-(2-fluorophenyl)-3-[(E)-hydroxyiminomethyl]pyridine-2-thione
SYSTEMATIC NAME: 1-(2-fluorophenyl)-3-[(E)-hydroxyiminomethyl]pyridine-2-thione
MOLECULAR FORMULA: C12H9FN2OS
MOLECULAR WEIGHT: 248.276063
SMILES: C1=CC=C(C(=C1)N2C=CC=C(C2=S)/C=N/O)F
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Product OPENEYE NAME: (3E)-1-(o-tolyl)-2-thioxo-pyridine-3-carbaldehyde oxime
CAS Name: (3E)-1-(2-methylphenyl)-2-sulfanylidene-3-pyridinecarboxaldehyde oxime
IUPAC NAME: 3-[(E)-hydroxyiminomethyl]-1-(2-methylphenyl)pyridine-2-thione
SYSTEMATIC NAME: 3-[(E)-hydroxyiminomethyl]-1-(2-methylphenyl)pyridine-2-thione
MOLECULAR FORMULA: C13H12N2OS
MOLECULAR WEIGHT: 244.31218
SMILES: CC1=CC=CC=C1N2C=CC=C(C2=S)/C=N/O
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