Thursday, July 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-ethoxy-4-nitro-benzene
CAS Name: 1-ethoxy-4-nitrobenzene
IUPAC NAME: 1-ethoxy-4-nitrobenzene
SYSTEMATIC NAME: 1-ethoxy-4-nitro-benzene
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: CCOC1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 1-nitro-4-[(4-nitrophenyl)disulfanyl]benzene
CAS Name: 1-nitro-4-[(4-nitrophenyl)disulfanyl]benzene
IUPAC NAME: 1-nitro-4-[(4-nitrophenyl)disulfanyl]benzene
SYSTEMATIC NAME: 1-nitro-4-[(4-nitrophenyl)disulfanyl]benzene
MOLECULAR FORMULA: C12H8N2O4S2
MOLECULAR WEIGHT: 308.33292
SMILES: C1=CC(=CC=C1[N+](=O)[O-])SSC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(diethylamino)ethanol
CAS Name: 2-(diethylamino)ethanol
IUPAC NAME: 2-(diethylamino)ethanol
SYSTEMATIC NAME: 2-(diethylamino)ethanol
MOLECULAR FORMULA: C6H15NO
MOLECULAR WEIGHT: 117.1894
SMILES: CCN(CC)CCO
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Product OPENEYE NAME: bromomethylbenzene
CAS Name: bromomethylbenzene
IUPAC NAME: bromomethylbenzene
SYSTEMATIC NAME: bromomethylbenzene
MOLECULAR FORMULA: C7H7Br
MOLECULAR WEIGHT: 171.03448
SMILES: C1=CC=C(C=C1)CBr
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Product OPENEYE NAME: 4-vinylcyclohexene
CAS Name: 4-ethenylcyclohexene
IUPAC NAME: 4-ethenylcyclohexene
SYSTEMATIC NAME: 4-ethenylcyclohexene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C=CC1CCC=CC1
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Product OPENEYE NAME: ethylbenzene
CAS Name: ethylbenzene
IUPAC NAME: ethylbenzene
SYSTEMATIC NAME: ethylbenzene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: CCC1=CC=CC=C1
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Product OPENEYE NAME: styrene
CAS Name: styrene
IUPAC NAME: styrene
SYSTEMATIC NAME: ethenylbenzene
MOLECULAR FORMULA: C8H8
MOLECULAR WEIGHT: 104.14912
SMILES: C=CC1=CC=CC=C1
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Product OPENEYE NAME: 4-vinylpyridine
CAS Name: 4-ethenylpyridine
IUPAC NAME: 4-ethenylpyridine
SYSTEMATIC NAME: 4-ethenylpyridine
MOLECULAR FORMULA: C7H7N
MOLECULAR WEIGHT: 105.13718
SMILES: C=CC1=CC=NC=C1
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Product OPENEYE NAME: chloromethylbenzene
CAS Name: chloromethylbenzene
IUPAC NAME: chloromethylbenzene
SYSTEMATIC NAME: chloromethylbenzene
MOLECULAR FORMULA: C7H7Cl
MOLECULAR WEIGHT: 126.58348
SMILES: C1=CC=C(C=C1)CCl
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Product OPENEYE NAME: phenylmethanamine
CAS Name: phenylmethanamine
IUPAC NAME: phenylmethanamine
SYSTEMATIC NAME: phenylmethanamine
MOLECULAR FORMULA: C7H9N
MOLECULAR WEIGHT: 107.15306
SMILES: C1=CC=C(C=C1)CN
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Product OPENEYE NAME: benzonitrile
CAS Name: benzonitrile
IUPAC NAME: benzonitrile
SYSTEMATIC NAME: benzenecarbonitrile
MOLECULAR FORMULA: C7H5N
MOLECULAR WEIGHT: 103.1213
SMILES: C1=CC=C(C=C1)C#N
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Product OPENEYE NAME: pyridine-4-carbonitrile
CAS Name: 4-pyridinecarbonitrile
IUPAC NAME: pyridine-4-carbonitrile
SYSTEMATIC NAME: pyridine-4-carbonitrile
MOLECULAR FORMULA: C6H4N2
MOLECULAR WEIGHT: 104.10936
SMILES: C1=CN=CC=C1C#N
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Product OPENEYE NAME: cyclohexylmethanol
CAS Name: cyclohexylmethanol
IUPAC NAME: cyclohexylmethanol
SYSTEMATIC NAME: cyclohexylmethanol
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: C1CCC(CC1)CO
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Product OPENEYE NAME: cyclohex-3-ene-1-carbaldehyde
CAS Name: 1-cyclohex-3-enecarboxaldehyde
IUPAC NAME: cyclohex-3-ene-1-carbaldehyde
SYSTEMATIC NAME: cyclohex-3-ene-1-carbaldehyde
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: C1CC(CC=C1)C=O
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Product OPENEYE NAME: phenylmethanethiol
CAS Name: phenylmethanethiol
IUPAC NAME: phenylmethanethiol
SYSTEMATIC NAME: phenylmethanethiol
MOLECULAR FORMULA: C7H8S
MOLECULAR WEIGHT: 124.20342
SMILES: C1=CC=C(C=C1)CS
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Product OPENEYE NAME: 3-pyridylmethanol
CAS Name: 3-pyridinylmethanol
IUPAC NAME: pyridin-3-ylmethanol
SYSTEMATIC NAME: pyridin-3-ylmethanol
MOLECULAR FORMULA: C6H7NO
MOLECULAR WEIGHT: 109.12588
SMILES: C1=CC(=CN=C1)CO
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