Thursday, March 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 5-[1-(3-carboxy-4-hydroxy-phenyl)-2,2,2-trichloro-ethyl]-2-hydroxy-benzoic acid
CAS Name: 5-[1-(3-carboxy-4-hydroxyphenyl)-2,2,2-trichloroethyl]-2-hydroxybenzoic acid
IUPAC NAME: 5-[1-(3-carboxy-4-hydroxyphenyl)-2,2,2-trichloroethyl]-2-hydroxybenzoic acid
SYSTEMATIC NAME: 5-[1-(3-carboxy-4-oxidanyl-phenyl)-2,2,2-tris(chloranyl)ethyl]-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C16H11Cl3O6
MOLECULAR WEIGHT: 405.61394
SMILES: C1=CC(=C(C=C1C(C2=CC(=C(C=C2)O)C(=O)O)C(Cl)(Cl)Cl)C(=O)O)O
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Product OPENEYE NAME: 2-[2-(3,4-dimethoxyphenyl)-5-[(4-ethoxyphenyl)carbamoyl]-3-thienyl]acetic acid
CAS Name: 2-[2-(3,4-dimethoxyphenyl)-5-[(4-ethoxyanilino)-oxomethyl]-3-thiophenyl]acetic acid
IUPAC NAME: 2-[2-(3,4-dimethoxyphenyl)-5-[(4-ethoxyphenyl)carbamoyl]thiophen-3-yl]acetic acid
SYSTEMATIC NAME: 2-[2-(3,4-dimethoxyphenyl)-5-[(4-ethoxyphenyl)carbamoyl]thiophen-3-yl]ethanoic acid
MOLECULAR FORMULA: C23H23NO6S
MOLECULAR WEIGHT: 441.49682
SMILES: CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(S2)C3=CC(=C(C=C3)OC)OC)CC(=O)O
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Product OPENEYE NAME: benzo[g]benzothiophen-5-ol
CAS Name: 5-benzo[g][1]benzothiolol
IUPAC NAME: benzo[g][1]benzothiol-5-ol
SYSTEMATIC NAME: benzo[g][1]benzothiol-5-ol
MOLECULAR FORMULA: C12H8OS
MOLECULAR WEIGHT: 200.25632
SMILES: C1=CC=C2C(=C1)C(=CC3=C2SC=C3)O
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Product OPENEYE NAME: 4-(dimethylamino)-N-[(3-iodophenyl)methyleneamino]benzamide
CAS Name: 4-(dimethylamino)-N-[(3-iodophenyl)methylideneamino]benzamide
IUPAC NAME: 4-(dimethylamino)-N-[(3-iodophenyl)methylideneamino]benzamide
SYSTEMATIC NAME: 4-(dimethylamino)-N-[(3-iodanylphenyl)methylideneamino]benzamide
MOLECULAR FORMULA: C16H16IN3O
MOLECULAR WEIGHT: 393.22221
SMILES: CN(C)C1=CC=C(C=C1)C(=O)NN=CC2=CC(=CC=C2)I
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Product OPENEYE NAME: 4-(dimethylamino)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methyleneamino]benzamide
CAS Name: 4-(dimethylamino)-N-[[1-(4-nitrophenyl)-2-pyrrolyl]methylideneamino]benzamide
IUPAC NAME: 4-(dimethylamino)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]benzamide
SYSTEMATIC NAME: 4-(dimethylamino)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]benzamide
MOLECULAR FORMULA: C20H19N5O3
MOLECULAR WEIGHT: 377.39656
SMILES: CN(C)C1=CC=C(C=C1)C(=O)NN=CC2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-[[[4-(dimethylamino)phenyl]-phenyl-methylene]amino]-4-hydroxy-benzamide
CAS Name: N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide
IUPAC NAME: N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide
SYSTEMATIC NAME: N-[[[4-(dimethylamino)phenyl]-phenyl-methylidene]amino]-4-oxidanyl-benzamide
MOLECULAR FORMULA: C22H21N3O2
MOLECULAR WEIGHT: 359.42104
SMILES: CN(C)C1=CC=C(C=C1)C(=NNC(=O)C2=CC=C(C=C2)O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[1-(2,4-dichlorophenyl)ethylideneamino]-4-hydroxy-benzamide
CAS Name: N-[1-(2,4-dichlorophenyl)ethylideneamino]-4-hydroxybenzamide
IUPAC NAME: N-[1-(2,4-dichlorophenyl)ethylideneamino]-4-hydroxybenzamide
SYSTEMATIC NAME: N-[1-(2,4-dichlorophenyl)ethylideneamino]-4-oxidanyl-benzamide
MOLECULAR FORMULA: C15H12Cl2N2O2
MOLECULAR WEIGHT: 323.17398
SMILES: CC(=NNC(=O)C1=CC=C(C=C1)O)C2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: N-[1-(5-chloro-2-thienyl)ethylideneamino]-4-nitro-benzamide
CAS Name: N-[1-(5-chloro-2-thiophenyl)ethylideneamino]-4-nitrobenzamide
IUPAC NAME: N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-nitrobenzamide
SYSTEMATIC NAME: N-[1-(5-chloranylthiophen-2-yl)ethylideneamino]-4-nitro-benzamide
MOLECULAR FORMULA: C13H10ClN3O3S
MOLECULAR WEIGHT: 323.7548
SMILES: CC(=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(S2)Cl
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Product OPENEYE NAME: N-[1-(2,4-dichlorophenyl)ethylideneamino]-4-nitro-benzamide
CAS Name: N-[1-(2,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
IUPAC NAME: N-[1-(2,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
SYSTEMATIC NAME: N-[1-(2,4-dichlorophenyl)ethylideneamino]-4-nitro-benzamide
MOLECULAR FORMULA: C15H11Cl2N3O3
MOLECULAR WEIGHT: 352.17214
SMILES: CC(=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: N-[(3-iodophenyl)methyleneamino]-4-nitro-benzamide
CAS Name: N-[(3-iodophenyl)methylideneamino]-4-nitrobenzamide
IUPAC NAME: N-[(3-iodophenyl)methylideneamino]-4-nitrobenzamide
SYSTEMATIC NAME: N-[(3-iodanylphenyl)methylideneamino]-4-nitro-benzamide
MOLECULAR FORMULA: C14H10IN3O3
MOLECULAR WEIGHT: 395.15197
SMILES: C1=CC(=CC(=C1)I)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: N-[1-(3,4-dichlorophenyl)ethylideneamino]-4-nitro-benzamide
CAS Name: N-[1-(3,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
IUPAC NAME: N-[1-(3,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
SYSTEMATIC NAME: N-[1-(3,4-dichlorophenyl)ethylideneamino]-4-nitro-benzamide
MOLECULAR FORMULA: C15H11Cl2N3O3
MOLECULAR WEIGHT: 352.17214
SMILES: CC(=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=C(C=C2)Cl)Cl
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Product OPENEYE NAME: N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitro-benzamide
CAS Name: N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitrobenzamide
IUPAC NAME: N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitrobenzamide
SYSTEMATIC NAME: N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitro-benzamide
MOLECULAR FORMULA: C17H17N3O3
MOLECULAR WEIGHT: 311.33518
SMILES: CC1=CC(=C(C=C1)C(=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)C
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Product OPENEYE NAME: 1-methylsulfonyl-3-(3-methylsulfonylphenyl)sulfonyl-benzene
CAS Name: 1-methylsulfonyl-3-(3-methylsulfonylphenyl)sulfonylbenzene
IUPAC NAME: 1-methylsulfonyl-3-(3-methylsulfonylphenyl)sulfonylbenzene
SYSTEMATIC NAME: 1-methylsulfonyl-3-(3-methylsulfonylphenyl)sulfonyl-benzene
MOLECULAR FORMULA: C14H14O6S3
MOLECULAR WEIGHT: 374.45236
SMILES: CS(=O)(=O)C1=CC=CC(=C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)C
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Product OPENEYE NAME: 1-benzylsulfonyl-4-(4-benzylsulfonylphenoxy)benzene
CAS Name: 1-(phenylmethyl)sulfonyl-4-[4-(phenylmethyl)sulfonylphenoxy]benzene
IUPAC NAME: 1-benzylsulfonyl-4-(4-benzylsulfonylphenoxy)benzene
SYSTEMATIC NAME: 1-(phenylmethyl)sulfonyl-4-[4-(phenylmethyl)sulfonylphenoxy]benzene
MOLECULAR FORMULA: C26H22O5S2
MOLECULAR WEIGHT: 478.57988
SMILES: C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)CC4=CC=CC=C4
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Product OPENEYE NAME: 4-[2-(2-furyl)-4-(p-tolylsulfonyl)oxazol-5-yl]morpholine
CAS Name: 4-[2-(2-furanyl)-4-(4-methylphenyl)sulfonyl-5-oxazolyl]morpholine
IUPAC NAME: 4-[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
SYSTEMATIC NAME: 4-[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
MOLECULAR FORMULA: C18H18N2O5S
MOLECULAR WEIGHT: 374.41092
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CO3)N4CCOCC4
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Product OPENEYE NAME: 4-[4-(benzenesulfonyl)-2-(4-bromophenyl)oxazol-5-yl]morpholine
CAS Name: 4-[4-(benzenesulfonyl)-2-(4-bromophenyl)-5-oxazolyl]morpholine
IUPAC NAME: 4-[4-(benzenesulfonyl)-2-(4-bromophenyl)-1,3-oxazol-5-yl]morpholine
SYSTEMATIC NAME: 4-[2-(4-bromophenyl)-4-(phenylsulfonyl)-1,3-oxazol-5-yl]morpholine
MOLECULAR FORMULA: C19H17BrN2O4S
MOLECULAR WEIGHT: 449.31828
SMILES: C1COCCN1C2=C(N=C(O2)C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4
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