Thursday, July 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1,3-dinitrobenzene
CAS Name: 1,3-dinitrobenzene
IUPAC NAME: 1,3-dinitrobenzene
SYSTEMATIC NAME: 1,3-dinitrobenzene
MOLECULAR FORMULA: C6H4N2O4
MOLECULAR WEIGHT: 168.10696
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 4-sec-butylphenol
CAS Name: 4-butan-2-ylphenol
IUPAC NAME: 4-butan-2-ylphenol
SYSTEMATIC NAME: 4-butan-2-ylphenol
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CCC(C)C1=CC=C(C=C1)O
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Product OPENEYE NAME: 2-bromo-1-(4-bromophenyl)ethanone
CAS Name: 2-bromo-1-(4-bromophenyl)ethanone
IUPAC NAME: 2-bromo-1-(4-bromophenyl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(4-bromophenyl)ethanone
MOLECULAR FORMULA: C8H6Br2O
MOLECULAR WEIGHT: 277.94064
SMILES: C1=CC(=CC=C1C(=O)CBr)Br
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Product OPENEYE NAME: methyl 4-methylbenzoate
CAS Name: 4-methylbenzoic acid methyl ester
IUPAC NAME: methyl 4-methylbenzoate
SYSTEMATIC NAME: methyl 4-methylbenzoate
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC1=CC=C(C=C1)C(=O)OC
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Product OPENEYE NAME: methyl 4-hydroxybenzoate
CAS Name: 4-hydroxybenzoic acid methyl ester
IUPAC NAME: methyl 4-hydroxybenzoate
SYSTEMATIC NAME: methyl 4-oxidanylbenzoate
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: COC(=O)C1=CC=C(C=C1)O
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Product OPENEYE NAME: ethyl 4-nitrobenzoate
CAS Name: 4-nitrobenzoic acid ethyl ester
IUPAC NAME: ethyl 4-nitrobenzoate
SYSTEMATIC NAME: ethyl 4-nitrobenzoate
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 10-(4-iodophenyl)undecanoate
CAS Name: 10-(4-iodophenyl)undecanoic acid ethyl ester
IUPAC NAME: ethyl 10-(4-iodophenyl)undecanoate
SYSTEMATIC NAME: ethyl 10-(4-iodophenyl)undecanoate
MOLECULAR FORMULA: C19H29IO2
MOLECULAR WEIGHT: 416.33683
SMILES: CCOC(=O)CCCCCCCCC(C)C1=CC=C(C=C1)I
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Product OPENEYE NAME: 1-isopropyl-4-methyl-cyclohexane
CAS Name: 1-methyl-4-propan-2-ylcyclohexane
IUPAC NAME: 1-methyl-4-propan-2-ylcyclohexane
SYSTEMATIC NAME: 1-methyl-4-propan-2-yl-cyclohexane
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CC1CCC(CC1)C(C)C
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Product OPENEYE NAME: 5-isopropyl-2-methyl-cyclohexa-1,3-diene
CAS Name: 2-methyl-5-propan-2-ylcyclohexa-1,3-diene
IUPAC NAME: 2-methyl-5-propan-2-ylcyclohexa-1,3-diene
SYSTEMATIC NAME: 2-methyl-5-propan-2-yl-cyclohexa-1,3-diene
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: CC1=CCC(C=C1)C(C)C
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Product OPENEYE NAME: 1-isopropyl-4-methyl-cyclohexa-1,4-diene
CAS Name: 1-methyl-4-propan-2-ylcyclohexa-1,4-diene
IUPAC NAME: 1-methyl-4-propan-2-ylcyclohexa-1,4-diene
SYSTEMATIC NAME: 1-methyl-4-propan-2-yl-cyclohexa-1,4-diene
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: CC1=CCC(=CC1)C(C)C
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Product OPENEYE NAME: 1-isopropyl-4-methyl-cyclohexa-1,3-diene
CAS Name: 1-methyl-4-propan-2-ylcyclohexa-1,3-diene
IUPAC NAME: 1-methyl-4-propan-2-ylcyclohexa-1,3-diene
SYSTEMATIC NAME: 1-methyl-4-propan-2-yl-cyclohexa-1,3-diene
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: CC1=CC=C(CC1)C(C)C
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Product OPENEYE NAME: 1-isopropyl-4-methyl-benzene
CAS Name: 1-methyl-4-propan-2-ylbenzene
IUPAC NAME: 1-methyl-4-propan-2-ylbenzene
SYSTEMATIC NAME: 1-methyl-4-propan-2-yl-benzene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CC1=CC=C(C=C1)C(C)C
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Product OPENEYE NAME: 4-isopropylaniline
CAS Name: 4-propan-2-ylaniline
IUPAC NAME: 4-propan-2-ylaniline
SYSTEMATIC NAME: 4-propan-2-ylaniline
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CC(C)C1=CC=C(C=C1)N
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Product OPENEYE NAME: 4-isopropylphenol
CAS Name: 4-propan-2-ylphenol
IUPAC NAME: 4-propan-2-ylphenol
SYSTEMATIC NAME: 4-propan-2-ylphenol
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CC(C)C1=CC=C(C=C1)O
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Product OPENEYE NAME: 1-(4-bromophenyl)ethanone
CAS Name: 1-(4-bromophenyl)ethanone
IUPAC NAME: 1-(4-bromophenyl)ethanone
SYSTEMATIC NAME: 1-(4-bromophenyl)ethanone
MOLECULAR FORMULA: C8H7BrO
MOLECULAR WEIGHT: 199.04458
SMILES: CC(=O)C1=CC=C(C=C1)Br
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Product OPENEYE NAME: 1-(4-chlorophenyl)ethanone
CAS Name: 1-(4-chlorophenyl)ethanone
IUPAC NAME: 1-(4-chlorophenyl)ethanone
SYSTEMATIC NAME: 1-(4-chlorophenyl)ethanone
MOLECULAR FORMULA: C8H7ClO
MOLECULAR WEIGHT: 154.59358
SMILES: CC(=O)C1=CC=C(C=C1)Cl
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Product OPENEYE NAME: 1-(4-aminophenyl)ethanone
CAS Name: 1-(4-aminophenyl)ethanone
IUPAC NAME: 1-(4-aminophenyl)ethanone
SYSTEMATIC NAME: 1-(4-aminophenyl)ethanone
MOLECULAR FORMULA: C8H9NO
MOLECULAR WEIGHT: 135.16316
SMILES: CC(=O)C1=CC=C(C=C1)N
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Product OPENEYE NAME: 1-(4-hydroxyphenyl)ethanone
CAS Name: 1-(4-hydroxyphenyl)ethanone
IUPAC NAME: 1-(4-hydroxyphenyl)ethanone
SYSTEMATIC NAME: 1-(4-hydroxyphenyl)ethanone
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: CC(=O)C1=CC=C(C=C1)O
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Product OPENEYE NAME: 4-methylbenzoic acid
CAS Name: 4-methylbenzoic acid
IUPAC NAME: 4-methylbenzoic acid
SYSTEMATIC NAME: 4-methylbenzoic acid
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: CC1=CC=C(C=C1)C(=O)O
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Product OPENEYE NAME: N,N,4-trimethylaniline
CAS Name: N,N,4-trimethylaniline
IUPAC NAME: N,N,4-trimethylaniline
SYSTEMATIC NAME: N,N,4-trimethylaniline
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CC1=CC=C(C=C1)N(C)C
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Product OPENEYE NAME: N4,N4-dimethylbenzene-1,4-diamine
CAS Name: N4,N4-dimethylbenzene-1,4-diamine
IUPAC NAME: 4-N,4-N-dimethylbenzene-1,4-diamine
SYSTEMATIC NAME: N4,N4-dimethylbenzene-1,4-diamine
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: CN(C)C1=CC=C(C=C1)N
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Product OPENEYE NAME: 1-methyl-4-nitro-benzene
CAS Name: 1-methyl-4-nitrobenzene
IUPAC NAME: 1-methyl-4-nitrobenzene
SYSTEMATIC NAME: 1-methyl-4-nitro-benzene
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: CC1=CC=C(C=C1)[N+](=O)[O-]
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