Tuesday, August 2, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 4-[4-(dimethylamino)phenyl]-N,N-dimethyl-aniline
CAS Name: 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline
IUPAC NAME: 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[4-(dimethylamino)phenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C16H20N2
MOLECULAR WEIGHT: 240.3434
SMILES: CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)N(C)C
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Product OPENEYE NAME: N-isopropyl-4-[(2-methylhydrazino)methyl]benzamide hydrochloride
CAS Name: 4-[(methylhydrazo)methyl]-N-propan-2-ylbenzamide hydrochloride
IUPAC NAME: 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide hydrochloride
SYSTEMATIC NAME: 4-[(2-methylhydrazinyl)methyl]-N-propan-2-yl-benzamide hydrochloride
MOLECULAR FORMULA: C12H20ClN3O
MOLECULAR WEIGHT: 257.7597
SMILES: CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl
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Product OPENEYE NAME: N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine dihydrochloride
CAS Name: N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine dihydrochloride
IUPAC NAME: N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine dihydrochloride
SYSTEMATIC NAME: N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine dihydrochloride
MOLECULAR FORMULA: C22H30Cl4N2
MOLECULAR WEIGHT: 464.299
SMILES: C1CC(CCC1CNCC2=CC=CC=C2Cl)CNCC3=CC=CC=C3Cl.Cl.Cl
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Product OPENEYE NAME: N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine
CAS Name: N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine
IUPAC NAME: N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine
SYSTEMATIC NAME: N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine
MOLECULAR FORMULA: C22H28Cl2N2
MOLECULAR WEIGHT: 391.37712
SMILES: C1CC(CCC1CNCC2=CC=CC=C2Cl)CNCC3=CC=CC=C3Cl
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Product OPENEYE NAME: 1,2-difluorobenzene
CAS Name: 1,2-difluorobenzene
IUPAC NAME: 1,2-difluorobenzene
SYSTEMATIC NAME: 1,2-bis(fluoranyl)benzene
MOLECULAR FORMULA: C6H4F2
MOLECULAR WEIGHT: 114.092766
SMILES: C1=CC=C(C(=C1)F)F
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Product OPENEYE NAME: 2-fluorophenol
CAS Name: 2-fluorophenol
IUPAC NAME: 2-fluorophenol
SYSTEMATIC NAME: 2-fluoranylphenol
MOLECULAR FORMULA: C6H5FO
MOLECULAR WEIGHT: 112.101703
SMILES: C1=CC=C(C(=C1)O)F
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Product OPENEYE NAME: 3-chloro-4-fluoro-aniline
CAS Name: 3-chloro-4-fluoroaniline
IUPAC NAME: 3-chloro-4-fluoroaniline
SYSTEMATIC NAME: 3-chloranyl-4-fluoranyl-aniline
MOLECULAR FORMULA: C6H5ClFN
MOLECULAR WEIGHT: 145.562003
SMILES: C1=CC(=C(C=C1N)Cl)F
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Product OPENEYE NAME: 2,4-difluoroaniline
CAS Name: 2,4-difluoroaniline
IUPAC NAME: 2,4-difluoroaniline
SYSTEMATIC NAME: 2,4-bis(fluoranyl)aniline
MOLECULAR FORMULA: C6H5F2N
MOLECULAR WEIGHT: 129.107406
SMILES: C1=CC(=C(C=C1F)F)N
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Product OPENEYE NAME: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-isopropylsulfanyl-tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(propan-2-ylthio)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-propan-2-ylsulfanyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C9H18O5S
MOLECULAR WEIGHT: 238.30122
SMILES: CC(C)S[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
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Product OPENEYE NAME: trifluoro(phenyl)silane
CAS Name: trifluoro(phenyl)silane
IUPAC NAME: trifluoro(phenyl)silane
SYSTEMATIC NAME: tris(fluoranyl)-phenyl-silane
MOLECULAR FORMULA: C6H5F3Si
MOLECULAR WEIGHT: 162.18461
SMILES: C1=CC=C(C=C1)[Si](F)(F)F
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Product OPENEYE NAME: 2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine
CAS Name: 2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine
IUPAC NAME: 2,4-difluoro-6-(trifluoromethyl)-1,3,5-triazine
SYSTEMATIC NAME: 2,4-bis(fluoranyl)-6-(trifluoromethyl)-1,3,5-triazine
MOLECULAR FORMULA: C4F5N3
MOLECULAR WEIGHT: 185.054916
SMILES: C1(=NC(=NC(=N1)F)F)C(F)(F)F
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Product OPENEYE NAME: N2-phenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CAS Name: N2-phenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
IUPAC NAME: 2-N-phenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2-phenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C10H8F3N5
MOLECULAR WEIGHT: 255.19923
SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C(F)(F)F
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Product OPENEYE NAME: 2,4,6-tris(trifluoromethyl)-1,3,5-triazine
CAS Name: 2,4,6-tris(trifluoromethyl)-1,3,5-triazine
IUPAC NAME: 2,4,6-tris(trifluoromethyl)-1,3,5-triazine
SYSTEMATIC NAME: 2,4,6-tris(trifluoromethyl)-1,3,5-triazine
MOLECULAR FORMULA: C6F9N3
MOLECULAR WEIGHT: 285.069929
SMILES: C1(=NC(=NC(=N1)C(F)(F)F)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: difluoro(phenyl)arsane
CAS Name: difluoro(phenyl)arsine
IUPAC NAME: difluoro(phenyl)arsane
SYSTEMATIC NAME: bis(fluoranyl)-phenyl-arsane
MOLECULAR FORMULA: C6H5AsF2
MOLECULAR WEIGHT: 190.022306
SMILES: C1=CC=C(C=C1)[As](F)F
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Product OPENEYE NAME: benzenediazonium hexafluorophosphate
CAS Name: benzenediazonium hexafluorophosphate
IUPAC NAME: benzenediazonium hexafluorophosphate
SYSTEMATIC NAME: benzenediazonium hexafluorophosphate
MOLECULAR FORMULA: C6H5F6N2P
MOLECULAR WEIGHT: 250.08148
SMILES: C1=CC=C(C=C1)[N+]#N.F[P-](F)(F)(F)(F)F
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Product OPENEYE NAME: benzenediazonium
CAS Name: benzenediazonium
IUPAC NAME: benzenediazonium
SYSTEMATIC NAME: benzenediazonium
MOLECULAR FORMULA: C6H5N2+
MOLECULAR WEIGHT: 105.1173
SMILES: C1=CC=C(C=C1)[N+]#N
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CAS Name: 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
IUPAC NAME: 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(4-chlorophenyl)urea
MOLECULAR FORMULA: C14H9Cl2F3N2O
MOLECULAR WEIGHT: 349.13527
SMILES: C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)Cl
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Product OPENEYE NAME: N-(4-nitrophenyl)-3-(trifluoromethyl)aniline
CAS Name: N-(4-nitrophenyl)-3-(trifluoromethyl)aniline
IUPAC NAME: N-(4-nitrophenyl)-3-(trifluoromethyl)aniline
SYSTEMATIC NAME: N-(4-nitrophenyl)-3-(trifluoromethyl)aniline
MOLECULAR FORMULA: C13H9F3N2O2
MOLECULAR WEIGHT: 282.21797
SMILES: C1=CC(=CC(=C1)NC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F
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Product OPENEYE NAME: S-phenyl 2-fluoroethanethioate
CAS Name: 2-fluoroethanethioic acid S-phenyl ester
IUPAC NAME: S-phenyl 2-fluoroethanethioate
SYSTEMATIC NAME: S-phenyl 2-fluoranylethanethioate
MOLECULAR FORMULA: C8H7FOS
MOLECULAR WEIGHT: 170.203983
SMILES: C1=CC=C(C=C1)SC(=O)CF
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Product OPENEYE NAME: 2,2,2-trifluoroethyl N-phenylcarbamate
CAS Name: N-phenylcarbamic acid 2,2,2-trifluoroethyl ester
IUPAC NAME: 2,2,2-trifluoroethyl N-phenylcarbamate
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)ethyl N-phenylcarbamate
MOLECULAR FORMULA: C9H8F3NO2
MOLECULAR WEIGHT: 219.16053
SMILES: C1=CC=C(C=C1)NC(=O)OCC(F)(F)F
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Product OPENEYE NAME: N,N'-bis(cyclohexylideneamino)oxamide
CAS Name: N,N'-bis(cyclohexylideneamino)oxamide
IUPAC NAME: N,N'-bis(cyclohexylideneamino)oxamide
SYSTEMATIC NAME: N,N'-bis(cyclohexylideneamino)ethanediamide
MOLECULAR FORMULA: C14H22N4O2
MOLECULAR WEIGHT: 278.35008
SMILES: C1CCC(=NNC(=O)C(=O)NN=C2CCCCC2)CC1
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Product OPENEYE NAME: trimethyl(2-phenoxyethyl)ammonium bromide
CAS Name: trimethyl(2-phenoxyethyl)ammonium bromide
IUPAC NAME: trimethyl(2-phenoxyethyl)azanium bromide
SYSTEMATIC NAME: trimethyl(2-phenoxyethyl)azanium bromide
MOLECULAR FORMULA: C11H18BrNO
MOLECULAR WEIGHT: 260.17072
SMILES: C[N+](C)(C)CCOC1=CC=CC=C1.[Br-]
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Product OPENEYE NAME: trimethyl(2-phenoxyethyl)ammonium
CAS Name: trimethyl(2-phenoxyethyl)ammonium
IUPAC NAME: trimethyl(2-phenoxyethyl)azanium
SYSTEMATIC NAME: trimethyl(2-phenoxyethyl)azanium
MOLECULAR FORMULA: C11H18NO+
MOLECULAR WEIGHT: 180.26672
SMILES: C[N+](C)(C)CCOC1=CC=CC=C1
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