Thursday, July 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-benzyl-1,3-dioxolane
CAS Name: 2-(phenylmethyl)-1,3-dioxolane
IUPAC NAME: 2-benzyl-1,3-dioxolane
SYSTEMATIC NAME: 2-(phenylmethyl)-1,3-dioxolane
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: C1COC(O1)CC2=CC=CC=C2
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Product OPENEYE NAME: 4-benzylphenol
CAS Name: 4-(phenylmethyl)phenol
IUPAC NAME: 4-benzylphenol
SYSTEMATIC NAME: 4-(phenylmethyl)phenol
MOLECULAR FORMULA: C13H12O
MOLECULAR WEIGHT: 184.23378
SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)O
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Product OPENEYE NAME: N4-phenylbenzene-1,4-diamine
CAS Name: N4-phenylbenzene-1,4-diamine
IUPAC NAME: 4-N-phenylbenzene-1,4-diamine
SYSTEMATIC NAME: N4-phenylbenzene-1,4-diamine
MOLECULAR FORMULA: C12H12N2
MOLECULAR WEIGHT: 184.23708
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N
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Product OPENEYE NAME: 1-bromo-4-phenoxy-benzene
CAS Name: 1-bromo-4-phenoxybenzene
IUPAC NAME: 1-bromo-4-phenoxybenzene
SYSTEMATIC NAME: 1-bromanyl-4-phenoxy-benzene
MOLECULAR FORMULA: C12H9BrO
MOLECULAR WEIGHT: 249.10326
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)Br
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Product OPENEYE NAME: 4-(4-nitrophenyl)sulfanylaniline
CAS Name: 4-[(4-nitrophenyl)thio]aniline
IUPAC NAME: 4-(4-nitrophenyl)sulfanylaniline
SYSTEMATIC NAME: 4-(4-nitrophenyl)sulfanylaniline
MOLECULAR FORMULA: C12H10N2O2S
MOLECULAR WEIGHT: 246.285
SMILES: C1=CC(=CC=C1N)SC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethyl-aniline
CAS Name: 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
IUPAC NAME: 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C17H22N2
MOLECULAR WEIGHT: 254.36998
SMILES: CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C
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Product OPENEYE NAME: 1-nitro-4-(4-nitrophenoxy)benzene
CAS Name: 1-nitro-4-(4-nitrophenoxy)benzene
IUPAC NAME: 1-nitro-4-(4-nitrophenoxy)benzene
SYSTEMATIC NAME: 1-nitro-4-(4-nitrophenoxy)benzene
MOLECULAR FORMULA: C12H8N2O5
MOLECULAR WEIGHT: 260.20232
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 4-octyl-N-(4-octylphenyl)aniline
CAS Name: 4-octyl-N-(4-octylphenyl)aniline
IUPAC NAME: 4-octyl-N-(4-octylphenyl)aniline
SYSTEMATIC NAME: 4-octyl-N-(4-octylphenyl)aniline
MOLECULAR FORMULA: C28H43N
MOLECULAR WEIGHT: 393.64772
SMILES: CCCCCCCCC1=CC=C(C=C1)NC2=CC=C(C=C2)CCCCCCCC
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Product OPENEYE NAME: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
CAS Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
IUPAC NAME: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
SYSTEMATIC NAME: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
MOLECULAR FORMULA: C15H10N2O2
MOLECULAR WEIGHT: 250.2521
SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
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Product OPENEYE NAME: 4-methoxy-N-(4-methoxyphenyl)aniline
CAS Name: 4-methoxy-N-(4-methoxyphenyl)aniline
IUPAC NAME: 4-methoxy-N-(4-methoxyphenyl)aniline
SYSTEMATIC NAME: 4-methoxy-N-(4-methoxyphenyl)aniline
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: COC1=CC=C(C=C1)NC2=CC=C(C=C2)OC
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Product OPENEYE NAME: (4-benzylphenyl) carbamate
CAS Name: carbamic acid [4-(phenylmethyl)phenyl] ester
IUPAC NAME: (4-benzylphenyl) carbamate
SYSTEMATIC NAME: [4-(phenylmethyl)phenyl] carbamate
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)OC(=O)N
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Product OPENEYE NAME: N4-isopropyl-N1-phenyl-benzene-1,4-diamine
CAS Name: N1-phenyl-N4-propan-2-ylbenzene-1,4-diamine
IUPAC NAME: 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
SYSTEMATIC NAME: N1-phenyl-N4-propan-2-yl-benzene-1,4-diamine
MOLECULAR FORMULA: C15H18N2
MOLECULAR WEIGHT: 226.31682
SMILES: CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
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Product OPENEYE NAME: 4-isopropoxy-N-phenyl-aniline
CAS Name: N-phenyl-4-propan-2-yloxyaniline
IUPAC NAME: N-phenyl-4-propan-2-yloxyaniline
SYSTEMATIC NAME: N-phenyl-4-propan-2-yloxy-aniline
MOLECULAR FORMULA: C15H17NO
MOLECULAR WEIGHT: 227.30158
SMILES: CC(C)OC1=CC=C(C=C1)NC2=CC=CC=C2
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Product OPENEYE NAME: N-phenyl-4-phenylazo-aniline
CAS Name: N-phenyl-4-phenyldiazenylaniline
IUPAC NAME: N-phenyl-4-phenyldiazenylaniline
SYSTEMATIC NAME: N-phenyl-4-phenyldiazenyl-aniline
MOLECULAR FORMULA: C18H15N3
MOLECULAR WEIGHT: 273.3318
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=CC=C3
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Product OPENEYE NAME: 1-chloro-4-[(4-chlorophenyl)methyl]benzene
CAS Name: 1-chloro-4-[(4-chlorophenyl)methyl]benzene
IUPAC NAME: 1-chloro-4-[(4-chlorophenyl)methyl]benzene
SYSTEMATIC NAME: 1-chloranyl-4-[(4-chlorophenyl)methyl]benzene
MOLECULAR FORMULA: C13H10Cl2
MOLECULAR WEIGHT: 237.1245
SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 4-[(4-aminophenyl)methyl]aniline
CAS Name: 4-[(4-aminophenyl)methyl]aniline
IUPAC NAME: 4-[(4-aminophenyl)methyl]aniline
SYSTEMATIC NAME: 4-[(4-aminophenyl)methyl]aniline
MOLECULAR FORMULA: C13H14N2
MOLECULAR WEIGHT: 198.26366
SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N)N
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Product OPENEYE NAME: 4-(4-chlorophenoxy)aniline
CAS Name: 4-(4-chlorophenoxy)aniline
IUPAC NAME: 4-(4-chlorophenoxy)aniline
SYSTEMATIC NAME: 4-(4-chloranylphenoxy)aniline
MOLECULAR FORMULA: C12H10ClNO
MOLECULAR WEIGHT: 219.6669
SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 4-(4-aminophenoxy)aniline
CAS Name: 4-(4-aminophenoxy)aniline
IUPAC NAME: 4-(4-aminophenoxy)aniline
SYSTEMATIC NAME: 4-(4-azanylphenoxy)aniline
MOLECULAR FORMULA: C12H12N2O
MOLECULAR WEIGHT: 200.23648
SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)N
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Product OPENEYE NAME: benzylbenzene
CAS Name: (phenylmethyl)benzene
IUPAC NAME: benzylbenzene
SYSTEMATIC NAME: (phenylmethyl)benzene
MOLECULAR FORMULA: C13H12
MOLECULAR WEIGHT: 168.23438
SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2
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Product OPENEYE NAME: 2-benzylpyridine
CAS Name: 2-(phenylmethyl)pyridine
IUPAC NAME: 2-benzylpyridine
SYSTEMATIC NAME: 2-(phenylmethyl)pyridine
MOLECULAR FORMULA: C12H11N
MOLECULAR WEIGHT: 169.22244
SMILES: C1=CC=C(C=C1)CC2=CC=CC=N2
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Product OPENEYE NAME: N-cyclohexylcyclohexanamine
CAS Name: N-cyclohexylcyclohexanamine
IUPAC NAME: N-cyclohexylcyclohexanamine
SYSTEMATIC NAME: N-cyclohexylcyclohexanamine
MOLECULAR FORMULA: C12H23N
MOLECULAR WEIGHT: 181.31772
SMILES: C1CCC(CC1)NC2CCCCC2
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