Saturday, August 13, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 4-vinylbenzoic acid
CAS Name: 4-ethenylbenzoic acid
IUPAC NAME: 4-ethenylbenzoic acid
SYSTEMATIC NAME: 4-ethenylbenzoic acid
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: C=CC1=CC=C(C=C1)C(=O)O
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Product OPENEYE NAME: 4,6-dimethoxy-1H-1,3,5-triazin-2-one
CAS Name: 4,6-dimethoxy-1H-1,3,5-triazin-2-one
IUPAC NAME: 4,6-dimethoxy-1H-1,3,5-triazin-2-one
SYSTEMATIC NAME: 4,6-dimethoxy-1H-1,3,5-triazin-2-one
MOLECULAR FORMULA: C5H7N3O3
MOLECULAR WEIGHT: 157.12738
SMILES: COC1=NC(=NC(=O)N1)OC
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Product OPENEYE NAME: 3-anilinopropanenitrile
CAS Name: 3-anilinopropanenitrile
IUPAC NAME: 3-anilinopropanenitrile
SYSTEMATIC NAME: 3-phenylazanylpropanenitrile
MOLECULAR FORMULA: C9H10N2
MOLECULAR WEIGHT: 146.1891
SMILES: C1=CC=C(C=C1)NCCC#N
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Product OPENEYE NAME: 2-hydroxychromen-4-one
CAS Name: 2-hydroxy-1-benzopyran-4-one
IUPAC NAME: 2-hydroxychromen-4-one
SYSTEMATIC NAME: 2-oxidanylchromen-4-one
MOLECULAR FORMULA: C9H6O3
MOLECULAR WEIGHT: 162.14214
SMILES: C1=CC=C2C(=C1)C(=O)C=C(O2)O
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Product OPENEYE NAME: ammonium 3-amino-2,5-dichloro-benzoate
CAS Name: ammonium 3-amino-2,5-dichlorobenzoate
IUPAC NAME: azanium 3-amino-2,5-dichlorobenzoate
SYSTEMATIC NAME: azanium 3-azanyl-2,5-bis(chloranyl)benzoate
MOLECULAR FORMULA: C7H8Cl2N2O2
MOLECULAR WEIGHT: 223.05662
SMILES: C1=C(C=C(C(=C1N)Cl)C(=O)[O-])Cl.[NH4+]
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Product OPENEYE NAME: 2,3,4-trimethylbenzoic acid
CAS Name: 2,3,4-trimethylbenzoic acid
IUPAC NAME: 2,3,4-trimethylbenzoic acid
SYSTEMATIC NAME: 2,3,4-trimethylbenzoic acid
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC1=C(C(=C(C=C1)C(=O)O)C)C
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Product OPENEYE NAME: 1-isopropyl-2-methoxy-4-methyl-benzene
CAS Name: 2-methoxy-4-methyl-1-propan-2-ylbenzene
IUPAC NAME: 2-methoxy-4-methyl-1-propan-2-ylbenzene
SYSTEMATIC NAME: 2-methoxy-4-methyl-1-propan-2-yl-benzene
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CC1=CC(=C(C=C1)C(C)C)OC
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Product OPENEYE NAME: 6,7-dimethyltetralin
CAS Name: 6,7-dimethyl-1,2,3,4-tetrahydronaphthalene
IUPAC NAME: 6,7-dimethyl-1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: 6,7-dimethyl-1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: CC1=C(C=C2CCCCC2=C1)C
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Product OPENEYE NAME: cyclohexane-1,4-dicarboxylic acid
CAS Name: cyclohexane-1,4-dicarboxylic acid
IUPAC NAME: cyclohexane-1,4-dicarboxylic acid
SYSTEMATIC NAME: cyclohexane-1,4-dicarboxylic acid
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: C1CC(CCC1C(=O)O)C(=O)O
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Product OPENEYE NAME: trimethyl(2-phenylethyl)ammonium iodide
CAS Name: trimethyl(2-phenylethyl)ammonium iodide
IUPAC NAME: trimethyl(2-phenylethyl)azanium iodide
SYSTEMATIC NAME: trimethyl(2-phenylethyl)azanium iodide
MOLECULAR FORMULA: C11H18IN
MOLECULAR WEIGHT: 291.17179
SMILES: C[N+](C)(C)CCC1=CC=CC=C1.[I-]
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Product OPENEYE NAME: trimethyl(2-phenylethyl)ammonium
CAS Name: trimethyl(2-phenylethyl)ammonium
IUPAC NAME: trimethyl(2-phenylethyl)azanium
SYSTEMATIC NAME: trimethyl(2-phenylethyl)azanium
MOLECULAR FORMULA: C11H18N+
MOLECULAR WEIGHT: 164.26732
SMILES: C[N+](C)(C)CCC1=CC=CC=C1
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Product OPENEYE NAME: hexylbenzene
CAS Name: hexylbenzene
IUPAC NAME: hexylbenzene
SYSTEMATIC NAME: hexylbenzene
MOLECULAR FORMULA: C12H18
MOLECULAR WEIGHT: 162.27132
SMILES: CCCCCCC1=CC=CC=C1
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Product OPENEYE NAME: N-ethyl-2-methyl-benzenesulfonamide
CAS Name: N-ethyl-2-methylbenzenesulfonamide
IUPAC NAME: N-ethyl-2-methylbenzenesulfonamide
SYSTEMATIC NAME: N-ethyl-2-methyl-benzenesulfonamide
MOLECULAR FORMULA: C9H13NO2S
MOLECULAR WEIGHT: 199.27002
SMILES: CCNS(=O)(=O)C1=CC=CC=C1C
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Product OPENEYE NAME: 3-(2-aminoethyl)-1H-indole-5-thiol
CAS Name: 3-(2-aminoethyl)-1H-indole-5-thiol
IUPAC NAME: 3-(2-aminoethyl)-1H-indole-5-thiol
SYSTEMATIC NAME: 3-(2-azanylethyl)-1H-indole-5-thiol
MOLECULAR FORMULA: C10H12N2S
MOLECULAR WEIGHT: 192.28068
SMILES: C1=CC2=C(C=C1S)C(=CN2)CCN
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Product OPENEYE NAME: 6-methoxytetralin-1-one
CAS Name: 6-methoxy-3,4-dihydro-2H-naphthalen-1-one
IUPAC NAME: 6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: 6-methoxy-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: COC1=CC2=C(C=C1)C(=O)CCC2
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Product OPENEYE NAME: 4-amino-3-phenyl-butanoic acid
CAS Name: 4-amino-3-phenylbutanoic acid
IUPAC NAME: 4-amino-3-phenylbutanoic acid
SYSTEMATIC NAME: 4-azanyl-3-phenyl-butanoic acid
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: C1=CC=C(C=C1)C(CC(=O)O)CN
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