Tuesday, April 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H12BrN5
MOLECULAR WEIGHT: 378.22538
SMILES: C1C2=CC=CC=C2N3C(=NN=C3C4=CC=C(N41)Br)C5=CC=CC=N5
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Product OPENEYE NAME: ethyl 1-[(4-chloro-2-nitro-phenyl)methyl]pyrrole-2-carboxylate
CAS Name: 1-[(4-chloro-2-nitrophenyl)methyl]-2-pyrrolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[(4-chloro-2-nitrophenyl)methyl]pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 1-[(4-chloranyl-2-nitro-phenyl)methyl]pyrrole-2-carboxylate
MOLECULAR FORMULA: C14H13ClN2O4
MOLECULAR WEIGHT: 308.71702
SMILES: CCOC(=O)C1=CC=CN1CC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 1-[(2-amino-4-chloro-phenyl)methyl]pyrrole-2-carboxylate
CAS Name: 1-[(2-amino-4-chlorophenyl)methyl]-2-pyrrolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[(2-amino-4-chlorophenyl)methyl]pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 1-[(2-azanyl-4-chloranyl-phenyl)methyl]pyrrole-2-carboxylate
MOLECULAR FORMULA: C14H15ClN2O2
MOLECULAR WEIGHT: 278.7341
SMILES: CCOC(=O)C1=CC=CN1CC2=C(C=C(C=C2)Cl)N
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Product OPENEYE NAME: 3,6-dichloro-11H-pyrrolo[2,1-c][1,4]benzodiazepine
CAS Name: 3,6-dichloro-11H-pyrrolo[2,1-c][1,4]benzodiazepine
IUPAC NAME: 3,6-dichloro-11H-pyrrolo[2,1-c][1,4]benzodiazepine
SYSTEMATIC NAME: 3,6-bis(chloranyl)-11H-pyrrolo[2,1-c][1,4]benzodiazepine
MOLECULAR FORMULA: C12H8Cl2N2
MOLECULAR WEIGHT: 251.11132
SMILES: C1C2=C(C=C(C=C2)Cl)N=C(C3=CC=CN31)Cl
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Product OPENEYE NAME: 2-[[2-(hydroxymethyl)phenyl]sulfanylmethyl]-4-methoxy-phenol
CAS Name: 2-[[[2-(hydroxymethyl)phenyl]thio]methyl]-4-methoxyphenol
IUPAC NAME: 2-[[2-(hydroxymethyl)phenyl]sulfanylmethyl]-4-methoxyphenol
SYSTEMATIC NAME: 2-[[2-(hydroxymethyl)phenyl]sulfanylmethyl]-4-methoxy-phenol
MOLECULAR FORMULA: C15H16O3S
MOLECULAR WEIGHT: 276.35074
SMILES: COC1=CC(=C(C=C1)O)CSC2=CC=CC=C2CO
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Product OPENEYE NAME: 2-ethylpentyl prop-2-enoate
CAS Name: 2-propenoic acid 2-ethylpentyl ester
IUPAC NAME: 2-ethylpentyl prop-2-enoate
SYSTEMATIC NAME: 2-ethylpentyl prop-2-enoate
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CCCC(CC)COC(=O)C=C
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Product OPENEYE NAME: 5-(trifluoromethyl)oxazolidin-2-one
CAS Name: 5-(trifluoromethyl)-2-oxazolidinone
IUPAC NAME: 5-(trifluoromethyl)-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-(trifluoromethyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C4H4F3NO2
MOLECULAR WEIGHT: 155.07527
SMILES: C1C(OC(=O)N1)C(F)(F)F
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Product OPENEYE NAME: (2-chloro-4-methyl-phenyl)-(4-chlorophenyl)methanone
CAS Name: (2-chloro-4-methylphenyl)-(4-chlorophenyl)methanone
IUPAC NAME: (2-chloro-4-methylphenyl)-(4-chlorophenyl)methanone
SYSTEMATIC NAME: (2-chloranyl-4-methyl-phenyl)-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H10Cl2O
MOLECULAR WEIGHT: 265.1346
SMILES: CC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)Cl
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Product OPENEYE NAME: (2-chloro-5-methyl-phenyl)-(4-chlorophenyl)methanone
CAS Name: (2-chloro-5-methylphenyl)-(4-chlorophenyl)methanone
IUPAC NAME: (2-chloro-5-methylphenyl)-(4-chlorophenyl)methanone
SYSTEMATIC NAME: (2-chloranyl-5-methyl-phenyl)-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H10Cl2O
MOLECULAR WEIGHT: 265.1346
SMILES: CC1=CC(=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (4-chlorophenyl)-(2,6-dichloro-4-methyl-phenyl)methanone
CAS Name: (4-chlorophenyl)-(2,6-dichloro-4-methylphenyl)methanone
IUPAC NAME: (4-chlorophenyl)-(2,6-dichloro-4-methylphenyl)methanone
SYSTEMATIC NAME: [2,6-bis(chloranyl)-4-methyl-phenyl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H9Cl3O
MOLECULAR WEIGHT: 299.57966
SMILES: CC1=CC(=C(C(=C1)Cl)C(=O)C2=CC=C(C=C2)Cl)Cl
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Product OPENEYE NAME: (2,6-dichlorophenyl)-(p-tolyl)methanone
CAS Name: (2,6-dichlorophenyl)-(4-methylphenyl)methanone
IUPAC NAME: (2,6-dichlorophenyl)-(4-methylphenyl)methanone
SYSTEMATIC NAME: [2,6-bis(chloranyl)phenyl]-(4-methylphenyl)methanone
MOLECULAR FORMULA: C14H10Cl2O
MOLECULAR WEIGHT: 265.1346
SMILES: CC1=CC=C(C=C1)C(=O)C2=C(C=CC=C2Cl)Cl
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Product OPENEYE NAME: [3-(bromomethyl)phenyl]-(4-chlorophenyl)methanone
CAS Name: [3-(bromomethyl)phenyl]-(4-chlorophenyl)methanone
IUPAC NAME: [3-(bromomethyl)phenyl]-(4-chlorophenyl)methanone
SYSTEMATIC NAME: [3-(bromomethyl)phenyl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H10BrClO
MOLECULAR WEIGHT: 309.5856
SMILES: C1=CC(=CC(=C1)CBr)C(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [4-(bromomethyl)-2-chloro-phenyl]-(4-chlorophenyl)methanone
CAS Name: [4-(bromomethyl)-2-chlorophenyl]-(4-chlorophenyl)methanone
IUPAC NAME: [4-(bromomethyl)-2-chlorophenyl]-(4-chlorophenyl)methanone
SYSTEMATIC NAME: [4-(bromomethyl)-2-chloranyl-phenyl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H9BrCl2O
MOLECULAR WEIGHT: 344.03066
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)CBr)Cl)Cl
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Product OPENEYE NAME: [5-(bromomethyl)-2-chloro-phenyl]-(4-chlorophenyl)methanone
CAS Name: [5-(bromomethyl)-2-chlorophenyl]-(4-chlorophenyl)methanone
IUPAC NAME: [5-(bromomethyl)-2-chlorophenyl]-(4-chlorophenyl)methanone
SYSTEMATIC NAME: [5-(bromomethyl)-2-chloranyl-phenyl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H9BrCl2O
MOLECULAR WEIGHT: 344.03066
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)CBr)Cl)Cl
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Product OPENEYE NAME: [4-(bromomethyl)-2,6-dichloro-phenyl]-(4-chlorophenyl)methanone
CAS Name: [4-(bromomethyl)-2,6-dichlorophenyl]-(4-chlorophenyl)methanone
IUPAC NAME: [4-(bromomethyl)-2,6-dichlorophenyl]-(4-chlorophenyl)methanone
SYSTEMATIC NAME: [4-(bromomethyl)-2,6-bis(chloranyl)phenyl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H8BrCl3O
MOLECULAR WEIGHT: 378.47572
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CBr)Cl)Cl
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