Wednesday, July 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N4,N4-diethylbenzene-1,4-diamine
CAS Name: N4,N4-diethylbenzene-1,4-diamine
IUPAC NAME: 4-N,4-N-diethylbenzene-1,4-diamine
SYSTEMATIC NAME: N4,N4-diethylbenzene-1,4-diamine
MOLECULAR FORMULA: C10H16N2
MOLECULAR WEIGHT: 164.24744
SMILES: CCN(CC)C1=CC=C(C=C1)N
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Product OPENEYE NAME: 3,4-dimethoxybenzoic acid
CAS Name: 3,4-dimethoxybenzoic acid
IUPAC NAME: 3,4-dimethoxybenzoic acid
SYSTEMATIC NAME: 3,4-dimethoxybenzoic acid
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: COC1=C(C=C(C=C1)C(=O)O)OC
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Product OPENEYE NAME: 1-(2-naphthyl)ethanone
CAS Name: 1-(2-naphthalenyl)ethanone
IUPAC NAME: 1-naphthalen-2-ylethanone
SYSTEMATIC NAME: 1-naphthalen-2-ylethanone
MOLECULAR FORMULA: C12H10O
MOLECULAR WEIGHT: 170.2072
SMILES: CC(=O)C1=CC2=CC=CC=C2C=C1
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Product OPENEYE NAME: naphthalene-2-carboxylic acid
CAS Name: 2-naphthalenecarboxylic acid
IUPAC NAME: naphthalene-2-carboxylic acid
SYSTEMATIC NAME: naphthalene-2-carboxylic acid
MOLECULAR FORMULA: C11H8O2
MOLECULAR WEIGHT: 172.18002
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)O
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Product OPENEYE NAME: quinoline-2-carboxylic acid
CAS Name: 2-quinolinecarboxylic acid
IUPAC NAME: quinoline-2-carboxylic acid
SYSTEMATIC NAME: quinoline-2-carboxylic acid
MOLECULAR FORMULA: C10H7NO2
MOLECULAR WEIGHT: 173.16808
SMILES: C1=CC=C2C(=C1)C=CC(=N2)C(=O)O
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Product OPENEYE NAME: naphthalene-2-sulfonyl chloride
CAS Name: 2-naphthalenesulfonyl chloride
IUPAC NAME: naphthalene-2-sulfonyl chloride
SYSTEMATIC NAME: naphthalene-2-sulfonyl chloride
MOLECULAR FORMULA: C10H7ClO2S
MOLECULAR WEIGHT: 226.67938
SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)Cl
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Product OPENEYE NAME: (2-methoxyanilino)methanesulfonic acid
CAS Name: (2-methoxyanilino)methanesulfonic acid
IUPAC NAME: (2-methoxyanilino)methanesulfonic acid
SYSTEMATIC NAME: [(2-methoxyphenyl)amino]methanesulfonic acid
MOLECULAR FORMULA: C8H11NO4S
MOLECULAR WEIGHT: 217.24224
SMILES: COC1=CC=CC=C1NCS(=O)(=O)O
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Product OPENEYE NAME: 4-allyl-1,2-dimethoxy-benzene
CAS Name: 1,2-dimethoxy-4-prop-2-enylbenzene
IUPAC NAME: 1,2-dimethoxy-4-prop-2-enylbenzene
SYSTEMATIC NAME: 1,2-dimethoxy-4-prop-2-enyl-benzene
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: COC1=C(C=C(C=C1)CC=C)OC
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Product OPENEYE NAME: 1,2-dimethoxy-4-prop-1-enyl-benzene
CAS Name: 1,2-dimethoxy-4-prop-1-enylbenzene
IUPAC NAME: 1,2-dimethoxy-4-prop-1-enylbenzene
SYSTEMATIC NAME: 1,2-dimethoxy-4-prop-1-enyl-benzene
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC=CC1=CC(=C(C=C1)OC)OC
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Product OPENEYE NAME: 2-ethoxynaphthalene
CAS Name: 2-ethoxynaphthalene
IUPAC NAME: 2-ethoxynaphthalene
SYSTEMATIC NAME: 2-ethoxynaphthalene
MOLECULAR FORMULA: C12H12O
MOLECULAR WEIGHT: 172.22308
SMILES: CCOC1=CC2=CC=CC=C2C=C1
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Product OPENEYE NAME: 2-isobutylquinoline
CAS Name: 2-(2-methylpropyl)quinoline
IUPAC NAME: 2-(2-methylpropyl)quinoline
SYSTEMATIC NAME: 2-(2-methylpropyl)quinoline
MOLECULAR FORMULA: C13H15N
MOLECULAR WEIGHT: 185.2649
SMILES: CC(C)CC1=NC2=CC=CC=C2C=C1
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Product OPENEYE NAME: 2-(2-naphthyloxy)ethanol
CAS Name: 2-(2-naphthalenyloxy)ethanol
IUPAC NAME: 2-naphthalen-2-yloxyethanol
SYSTEMATIC NAME: 2-naphthalen-2-yloxyethanol
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: C1=CC=C2C=C(C=CC2=C1)OCCO
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Product OPENEYE NAME: 2-dodecylisoquinolin-2-ium bromide
CAS Name: 2-dodecylisoquinolin-2-ium bromide
IUPAC NAME: 2-dodecylisoquinolin-2-ium bromide
SYSTEMATIC NAME: 2-dodecylisoquinolin-2-ium bromide
MOLECULAR FORMULA: C21H32BrN
MOLECULAR WEIGHT: 378.38948
SMILES: CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]
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Product OPENEYE NAME: 2-dodecylisoquinolin-2-ium
CAS Name: 2-dodecylisoquinolin-2-ium
IUPAC NAME: 2-dodecylisoquinolin-2-ium
SYSTEMATIC NAME: 2-dodecylisoquinolin-2-ium
MOLECULAR FORMULA: C21H32N+
MOLECULAR WEIGHT: 298.48548
SMILES: CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1
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Product OPENEYE NAME: 2-(2-methoxyphenyl)acetic acid
CAS Name: 2-(2-methoxyphenyl)acetic acid
IUPAC NAME: 2-(2-methoxyphenyl)acetic acid
SYSTEMATIC NAME: 2-(2-methoxyphenyl)ethanoic acid
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: COC1=CC=CC=C1CC(=O)O
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Product OPENEYE NAME: N-(2-methoxyphenyl)acetamide
CAS Name: N-(2-methoxyphenyl)acetamide
IUPAC NAME: N-(2-methoxyphenyl)acetamide
SYSTEMATIC NAME: N-(2-methoxyphenyl)ethanamide
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CC(=O)NC1=CC=CC=C1OC
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Product OPENEYE NAME: (4-allyl-2-methoxy-phenyl) acetate
CAS Name: acetic acid (2-methoxy-4-prop-2-enylphenyl) ester
IUPAC NAME: (2-methoxy-4-prop-2-enylphenyl) acetate
SYSTEMATIC NAME: (2-methoxy-4-prop-2-enyl-phenyl) ethanoate
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: CC(=O)OC1=C(C=C(C=C1)CC=C)OC
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Product OPENEYE NAME: (2-methoxy-4-prop-1-enyl-phenyl) acetate
CAS Name: acetic acid (2-methoxy-4-prop-1-enylphenyl) ester
IUPAC NAME: (2-methoxy-4-prop-1-enylphenyl) acetate
SYSTEMATIC NAME: (2-methoxy-4-prop-1-enyl-phenyl) ethanoate
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: CC=CC1=CC(=C(C=C1)OC(=O)C)OC
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Product OPENEYE NAME: 2,7-dimethylquinoline
CAS Name: 2,7-dimethylquinoline
IUPAC NAME: 2,7-dimethylquinoline
SYSTEMATIC NAME: 2,7-dimethylquinoline
MOLECULAR FORMULA: C11H11N
MOLECULAR WEIGHT: 157.21174
SMILES: CC1=CC2=C(C=C1)C=CC(=N2)C
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Product OPENEYE NAME: 2-(3,4-dimethoxyphenyl)acetic acid
CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid
IUPAC NAME: 2-(3,4-dimethoxyphenyl)acetic acid
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)ethanoic acid
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: COC1=C(C=C(C=C1)CC(=O)O)OC
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