Wednesday, July 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 4-chloro-2-nitro-aniline
CAS Name: 4-chloro-2-nitroaniline
IUPAC NAME: 4-chloro-2-nitroaniline
SYSTEMATIC NAME: 4-chloranyl-2-nitro-aniline
MOLECULAR FORMULA: C6H5ClN2O2
MOLECULAR WEIGHT: 172.5691
SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])N
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Product OPENEYE NAME: 4-chloro-2-nitro-phenol
CAS Name: 4-chloro-2-nitrophenol
IUPAC NAME: 4-chloro-2-nitrophenol
SYSTEMATIC NAME: 4-chloranyl-2-nitro-phenol
MOLECULAR FORMULA: C6H4ClNO3
MOLECULAR WEIGHT: 173.55386
SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])O
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Product OPENEYE NAME: (2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one
CAS Name: (2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone
IUPAC NAME: (2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one
SYSTEMATIC NAME: (2R)-2-[(1R)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one
MOLECULAR FORMULA: C6H8O6
MOLECULAR WEIGHT: 176.12412
SMILES: C([C@H]([C@@H]1C(=O)C(=C(O1)O)O)O)O
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Product OPENEYE NAME: 4-chloro-2-isopropyl-5-methyl-phenol
CAS Name: 4-chloro-5-methyl-2-propan-2-ylphenol
IUPAC NAME: 4-chloro-5-methyl-2-propan-2-ylphenol
SYSTEMATIC NAME: 4-chloranyl-5-methyl-2-propan-2-yl-phenol
MOLECULAR FORMULA: C10H13ClO
MOLECULAR WEIGHT: 184.66262
SMILES: CC1=CC(=C(C=C1Cl)C(C)C)O
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Product OPENEYE NAME: 1,2,4-trichloro-5-nitro-benzene
CAS Name: 1,2,4-trichloro-5-nitrobenzene
IUPAC NAME: 1,2,4-trichloro-5-nitrobenzene
SYSTEMATIC NAME: 1,2,4-tris(chloranyl)-5-nitro-benzene
MOLECULAR FORMULA: C6H2Cl3NO2
MOLECULAR WEIGHT: 226.44458
SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 2-sec-butylphenol
CAS Name: 2-butan-2-ylphenol
IUPAC NAME: 2-butan-2-ylphenol
SYSTEMATIC NAME: 2-butan-2-ylphenol
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CCC(C)C1=CC=CC=C1O
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)ethanone
CAS Name: 1-(2,4-dimethylphenyl)ethanone
IUPAC NAME: 1-(2,4-dimethylphenyl)ethanone
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)ethanone
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: CC1=CC(=C(C=C1)C(=O)C)C
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Product OPENEYE NAME: 2-isopropyl-5-methyl-cyclohexanone
CAS Name: 5-methyl-2-propan-2-yl-1-cyclohexanone
IUPAC NAME: 5-methyl-2-propan-2-ylcyclohexan-1-one
SYSTEMATIC NAME: 5-methyl-2-propan-2-yl-cyclohexan-1-one
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC1CCC(C(=O)C1)C(C)C
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Product OPENEYE NAME: 6-isopropyl-3-methyl-cyclohex-2-en-1-one
CAS Name: 3-methyl-6-propan-2-yl-1-cyclohex-2-enone
IUPAC NAME: 3-methyl-6-propan-2-ylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-methyl-6-propan-2-yl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC1=CC(=O)C(CC1)C(C)C
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Product OPENEYE NAME: 2-isopropylidene-5-methyl-cyclohexanone
CAS Name: 5-methyl-2-propan-2-ylidene-1-cyclohexanone
IUPAC NAME: 5-methyl-2-propan-2-ylidenecyclohexan-1-one
SYSTEMATIC NAME: 5-methyl-2-propan-2-ylidene-cyclohexan-1-one
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC1CCC(=C(C)C)C(=O)C1
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Product OPENEYE NAME: 2-isopropyl-5-methyl-phenol
CAS Name: 5-methyl-2-propan-2-ylphenol
IUPAC NAME: 5-methyl-2-propan-2-ylphenol
SYSTEMATIC NAME: 5-methyl-2-propan-2-yl-phenol
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC1=CC(=C(C=C1)C(C)C)O
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Product OPENEYE NAME: 1-(2,4-dihydroxyphenyl)ethanone
CAS Name: 1-(2,4-dihydroxyphenyl)ethanone
IUPAC NAME: 1-(2,4-dihydroxyphenyl)ethanone
SYSTEMATIC NAME: 1-[2,4-bis(oxidanyl)phenyl]ethanone
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: CC(=O)C1=C(C=C(C=C1)O)O
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