Saturday, August 13, 2011

All Chemical Compounds Information




Product OPENEYE NAME: heptylbenzene
CAS Name: heptylbenzene
IUPAC NAME: heptylbenzene
SYSTEMATIC NAME: heptylbenzene
MOLECULAR FORMULA: C13H20
MOLECULAR WEIGHT: 176.2979
SMILES: CCCCCCCC1=CC=CC=C1
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Product OPENEYE NAME: 2-phenylbenzene-1,4-diol
CAS Name: 2-phenylbenzene-1,4-diol
IUPAC NAME: 2-phenylbenzene-1,4-diol
SYSTEMATIC NAME: 2-phenylbenzene-1,4-diol
MOLECULAR FORMULA: C12H10O2
MOLECULAR WEIGHT: 186.2066
SMILES: C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O
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Product OPENEYE NAME: 6,7,8,9-tetrahydro-5H-carbazol-3-ylammonium chloride
CAS Name: 6,7,8,9-tetrahydro-5H-carbazol-3-ylammonium chloride
IUPAC NAME: 6,7,8,9-tetrahydro-5H-carbazol-3-ylazanium chloride
SYSTEMATIC NAME: 6,7,8,9-tetrahydro-5H-carbazol-3-ylazanium chloride
MOLECULAR FORMULA: C12H15ClN2
MOLECULAR WEIGHT: 222.7139
SMILES: C1CCC2=C(C1)C3=C(N2)C=CC(=C3)[NH3+].[Cl-]
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Product OPENEYE NAME: 6,7,8,9-tetrahydro-5H-carbazol-3-amine
CAS Name: 6,7,8,9-tetrahydro-5H-carbazol-3-amine
IUPAC NAME: 6,7,8,9-tetrahydro-5H-carbazol-3-amine
SYSTEMATIC NAME: 6,7,8,9-tetrahydro-5H-carbazol-3-amine
MOLECULAR FORMULA: C12H14N2
MOLECULAR WEIGHT: 186.25296
SMILES: C1CCC2=C(C1)C3=C(N2)C=CC(=C3)N
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Product OPENEYE NAME: benzothiophen-4-yl N-methylcarbamate
CAS Name: N-methylcarbamic acid 1-benzothiophen-4-yl ester
IUPAC NAME: 1-benzothiophen-4-yl N-methylcarbamate
SYSTEMATIC NAME: 1-benzothiophen-4-yl N-methylcarbamate
MOLECULAR FORMULA: C10H9NO2S
MOLECULAR WEIGHT: 207.24896
SMILES: CNC(=O)OC1=C2C=CSC2=CC=C1
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Product OPENEYE NAME: 1,3-disec-butylbenzene
CAS Name: 1,3-di(butan-2-yl)benzene
IUPAC NAME: 1,3-di(butan-2-yl)benzene
SYSTEMATIC NAME: 1,3-di(butan-2-yl)benzene
MOLECULAR FORMULA: C14H22
MOLECULAR WEIGHT: 190.32448
SMILES: CCC(C)C1=CC(=CC=C1)C(C)CC
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Product OPENEYE NAME: 4-(4-hydroxy-3-methoxy-phenyl)but-3-en-2-one
CAS Name: 4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one
IUPAC NAME: 4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
SYSTEMATIC NAME: 4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: CC(=O)C=CC1=CC(=C(C=C1)O)OC
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Product OPENEYE NAME: diethoxyphosphorylmethylbenzene
CAS Name: diethoxyphosphorylmethylbenzene
IUPAC NAME: diethoxyphosphorylmethylbenzene
SYSTEMATIC NAME: diethoxyphosphorylmethylbenzene
MOLECULAR FORMULA: C11H17O3P
MOLECULAR WEIGHT: 228.224641
SMILES: CCOP(=O)(CC1=CC=CC=C1)OCC
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Product OPENEYE NAME: 2-(pyridine-4-carbonylhydrazono)propanoic acid
CAS Name: 2-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]propanoic acid
IUPAC NAME: 2-(pyridine-4-carbonylhydrazinylidene)propanoic acid
SYSTEMATIC NAME: 2-(pyridin-4-ylcarbonylhydrazinylidene)propanoic acid
MOLECULAR FORMULA: C9H9N3O3
MOLECULAR WEIGHT: 207.18606
SMILES: CC(=NNC(=O)C1=CC=NC=C1)C(=O)O
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Product OPENEYE NAME: 3-(4-hydroxy-3-methoxy-phenyl)-2-oxo-propanoic acid
CAS Name: 3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid
IUPAC NAME: 3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid
SYSTEMATIC NAME: 3-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C10H10O5
MOLECULAR WEIGHT: 210.1834
SMILES: COC1=C(C=CC(=C1)CC(=O)C(=O)O)O
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Product OPENEYE NAME: 3-phenylpropylbenzene
CAS Name: 3-phenylpropylbenzene
IUPAC NAME: 3-phenylpropylbenzene
SYSTEMATIC NAME: 3-phenylpropylbenzene
MOLECULAR FORMULA: C15H16
MOLECULAR WEIGHT: 196.28754
SMILES: C1=CC=C(C=C1)CCCC2=CC=CC=C2
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Product OPENEYE NAME: nonylbenzene
CAS Name: nonylbenzene
IUPAC NAME: nonylbenzene
SYSTEMATIC NAME: nonylbenzene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CCCCCCCCCC1=CC=CC=C1
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Product OPENEYE NAME: hexyl 4-hydroxybenzoate
CAS Name: 4-hydroxybenzoic acid hexyl ester
IUPAC NAME: hexyl 4-hydroxybenzoate
SYSTEMATIC NAME: hexyl 4-oxidanylbenzoate
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CCCCCCOC(=O)C1=CC=C(C=C1)O
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Product OPENEYE NAME: butyl 3,4,5-trihydroxybenzoate
CAS Name: 3,4,5-trihydroxybenzoic acid butyl ester
IUPAC NAME: butyl 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: butyl 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C11H14O5
MOLECULAR WEIGHT: 226.22586
SMILES: CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
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Product OPENEYE NAME: 4-[(4-nitrophenyl)methyl]pyridine
CAS Name: 4-[(4-nitrophenyl)methyl]pyridine
IUPAC NAME: 4-[(4-nitrophenyl)methyl]pyridine
SYSTEMATIC NAME: 4-[(4-nitrophenyl)methyl]pyridine
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-]
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