Wednesday, July 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-methylbenzenesulfonamide
CAS Name: 2-methylbenzenesulfonamide
IUPAC NAME: 2-methylbenzenesulfonamide
SYSTEMATIC NAME: 2-methylbenzenesulfonamide
MOLECULAR FORMULA: C7H9NO2S
MOLECULAR WEIGHT: 171.21686
SMILES: CC1=CC=CC=C1S(=O)(=O)N
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Product OPENEYE NAME: 2-methylbenzenesulfonic acid
CAS Name: 2-methylbenzenesulfonic acid
IUPAC NAME: 2-methylbenzenesulfonic acid
SYSTEMATIC NAME: 2-methylbenzenesulfonic acid
MOLECULAR FORMULA: C7H8O3S
MOLECULAR WEIGHT: 172.20162
SMILES: CC1=CC=CC=C1S(=O)(=O)O
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Product OPENEYE NAME: 2-aminobenzenesulfonic acid
CAS Name: 2-aminobenzenesulfonic acid
IUPAC NAME: 2-aminobenzenesulfonic acid
SYSTEMATIC NAME: 2-azanylbenzenesulfonic acid
MOLECULAR FORMULA: C6H7NO3S
MOLECULAR WEIGHT: 173.18968
SMILES: C1=CC=C(C(=C1)N)S(=O)(=O)O
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Product OPENEYE NAME: 3-amino-5-chloro-2-hydroxy-benzenesulfonic acid
CAS Name: 3-amino-5-chloro-2-hydroxybenzenesulfonic acid
IUPAC NAME: 3-amino-5-chloro-2-hydroxybenzenesulfonic acid
SYSTEMATIC NAME: 3-azanyl-5-chloranyl-2-oxidanyl-benzenesulfonic acid
MOLECULAR FORMULA: C6H6ClNO4S
MOLECULAR WEIGHT: 223.63414
SMILES: C1=C(C=C(C(=C1S(=O)(=O)O)O)N)Cl
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Product OPENEYE NAME: 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxy-phenyl)methyl]-4-ethyl-phenol
CAS Name: 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol
IUPAC NAME: 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol
SYSTEMATIC NAME: 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-oxidanyl-phenyl)methyl]-4-ethyl-phenol
MOLECULAR FORMULA: C25H36O2
MOLECULAR WEIGHT: 368.55214
SMILES: CCC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)CC)C(C)(C)C)O
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Product OPENEYE NAME: 2,6-ditert-butyl-4-(hydroxymethyl)phenol
CAS Name: 2,6-ditert-butyl-4-(hydroxymethyl)phenol
IUPAC NAME: 2,6-ditert-butyl-4-(hydroxymethyl)phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-(hydroxymethyl)phenol
MOLECULAR FORMULA: C15H24O2
MOLECULAR WEIGHT: 236.34986
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO
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Product OPENEYE NAME: 1-(7-ethyl-1,1,4,4-tetramethyl-tetralin-6-yl)ethanone
CAS Name: 1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
IUPAC NAME: 1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
SYSTEMATIC NAME: 1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
MOLECULAR FORMULA: C18H26O
MOLECULAR WEIGHT: 258.39844
SMILES: CCC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C
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Product OPENEYE NAME: 4-nitro-3-(trifluoromethyl)phenol
CAS Name: 4-nitro-3-(trifluoromethyl)phenol
IUPAC NAME: 4-nitro-3-(trifluoromethyl)phenol
SYSTEMATIC NAME: 4-nitro-3-(trifluoromethyl)phenol
MOLECULAR FORMULA: C7H4F3NO3
MOLECULAR WEIGHT: 207.10677
SMILES: C1=CC(=C(C=C1O)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 3-tert-butyl-4-methoxy-phenol
CAS Name: 3-tert-butyl-4-methoxyphenol
IUPAC NAME: 3-tert-butyl-4-methoxyphenol
SYSTEMATIC NAME: 3-tert-butyl-4-methoxy-phenol
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC(C)(C)C1=C(C=CC(=C1)O)OC
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Product OPENEYE NAME: 5-amino-2-chloro-benzenesulfonic acid
CAS Name: 5-amino-2-chlorobenzenesulfonic acid
IUPAC NAME: 5-amino-2-chlorobenzenesulfonic acid
SYSTEMATIC NAME: 5-azanyl-2-chloranyl-benzenesulfonic acid
MOLECULAR FORMULA: C6H6ClNO3S
MOLECULAR WEIGHT: 207.63474
SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)Cl
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Product OPENEYE NAME: 2-amino-5-methyl-benzenesulfonic acid
CAS Name: 2-amino-5-methylbenzenesulfonic acid
IUPAC NAME: 2-amino-5-methylbenzenesulfonic acid
SYSTEMATIC NAME: 2-azanyl-5-methyl-benzenesulfonic acid
MOLECULAR FORMULA: C7H9NO3S
MOLECULAR WEIGHT: 187.21626
SMILES: CC1=CC(=C(C=C1)N)S(=O)(=O)O
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Product OPENEYE NAME: 2-amino-4-chloro-5-methyl-benzenesulfonic acid
CAS Name: 2-amino-4-chloro-5-methylbenzenesulfonic acid
IUPAC NAME: 2-amino-4-chloro-5-methylbenzenesulfonic acid
SYSTEMATIC NAME: 2-azanyl-4-chloranyl-5-methyl-benzenesulfonic acid
MOLECULAR FORMULA: C7H8ClNO3S
MOLECULAR WEIGHT: 221.66132
SMILES: CC1=CC(=C(C=C1Cl)N)S(=O)(=O)O
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Product OPENEYE NAME: 2-amino-5-chloro-4-methyl-benzenesulfonic acid
CAS Name: 2-amino-5-chloro-4-methylbenzenesulfonic acid
IUPAC NAME: 2-amino-5-chloro-4-methylbenzenesulfonic acid
SYSTEMATIC NAME: 2-azanyl-5-chloranyl-4-methyl-benzenesulfonic acid
MOLECULAR FORMULA: C7H8ClNO3S
MOLECULAR WEIGHT: 221.66132
SMILES: CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N
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Product OPENEYE NAME: 2-tert-butyl-5-methyl-phenol
CAS Name: 2-tert-butyl-5-methylphenol
IUPAC NAME: 2-tert-butyl-5-methylphenol
SYSTEMATIC NAME: 2-tert-butyl-5-methyl-phenol
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CC1=CC(=C(C=C1)C(C)(C)C)O
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Product OPENEYE NAME: 2,4-dimethylbenzenesulfonic acid
CAS Name: 2,4-dimethylbenzenesulfonic acid
IUPAC NAME: 2,4-dimethylbenzenesulfonic acid
SYSTEMATIC NAME: 2,4-dimethylbenzenesulfonic acid
MOLECULAR FORMULA: C8H10O3S
MOLECULAR WEIGHT: 186.2282
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)O)C
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Product OPENEYE NAME: 4-acetamido-2-amino-benzenesulfonic acid
CAS Name: 4-acetamido-2-aminobenzenesulfonic acid
IUPAC NAME: 4-acetamido-2-aminobenzenesulfonic acid
SYSTEMATIC NAME: 4-acetamido-2-azanyl-benzenesulfonic acid
MOLECULAR FORMULA: C8H10N2O4S
MOLECULAR WEIGHT: 230.241
SMILES: CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)N
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Product OPENEYE NAME: 2-bromobenzoic acid
CAS Name: 2-bromobenzoic acid
IUPAC NAME: 2-bromobenzoic acid
SYSTEMATIC NAME: 2-bromanylbenzoic acid
MOLECULAR FORMULA: C7H5BrO2
MOLECULAR WEIGHT: 201.0174
SMILES: C1=CC=C(C(=C1)C(=O)O)Br
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Product OPENEYE NAME: 2-iodobenzoic acid
CAS Name: 2-iodobenzoic acid
IUPAC NAME: 2-iodobenzoic acid
SYSTEMATIC NAME: 2-iodanylbenzoic acid
MOLECULAR FORMULA: C7H5IO2
MOLECULAR WEIGHT: 248.01787
SMILES: C1=CC=C(C(=C1)C(=O)O)I
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Product OPENEYE NAME: 2-aminobenzamide
CAS Name: 2-aminobenzamide
IUPAC NAME: 2-aminobenzamide
SYSTEMATIC NAME: 2-azanylbenzamide
MOLECULAR FORMULA: C7H8N2O
MOLECULAR WEIGHT: 136.15122
SMILES: C1=CC=C(C(=C1)C(=O)N)N
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Product OPENEYE NAME: 2-isopropylphenol
CAS Name: 2-propan-2-ylphenol
IUPAC NAME: 2-propan-2-ylphenol
SYSTEMATIC NAME: 2-propan-2-ylphenol
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CC(C)C1=CC=CC=C1O
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Product OPENEYE NAME: 1-methyl-2-nitro-benzene
CAS Name: 1-methyl-2-nitrobenzene
IUPAC NAME: 1-methyl-2-nitrobenzene
SYSTEMATIC NAME: 1-methyl-2-nitro-benzene
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: CC1=CC=CC=C1[N+](=O)[O-]
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Product OPENEYE NAME: 1-chloro-2-nitro-benzene
CAS Name: 1-chloro-2-nitrobenzene
IUPAC NAME: 1-chloro-2-nitrobenzene
SYSTEMATIC NAME: 1-chloranyl-2-nitro-benzene
MOLECULAR FORMULA: C6H4ClNO2
MOLECULAR WEIGHT: 157.55446
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 2-nitroaniline
CAS Name: 2-nitroaniline
IUPAC NAME: 2-nitroaniline
SYSTEMATIC NAME: 2-nitroaniline
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=CC=C(C(=C1)N)[N+](=O)[O-]
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Product OPENEYE NAME: 2-nitrophenol
CAS Name: 2-nitrophenol
IUPAC NAME: 2-nitrophenol
SYSTEMATIC NAME: 2-nitrophenol
MOLECULAR FORMULA: C6H5NO3
MOLECULAR WEIGHT: 139.1088
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])O
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