Saturday, September 3, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1,4-dipropylbenzene
CAS Name: 1,4-dipropylbenzene
IUPAC NAME: 1,4-dipropylbenzene
SYSTEMATIC NAME: 1,4-dipropylbenzene
MOLECULAR FORMULA: C12H18
MOLECULAR WEIGHT: 162.27132
SMILES: CCCC1=CC=C(C=C1)CCC
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Product OPENEYE NAME: 2-pentylcyclopentanone
CAS Name: 2-pentyl-1-cyclopentanone
IUPAC NAME: 2-pentylcyclopentan-1-one
SYSTEMATIC NAME: 2-pentylcyclopentan-1-one
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CCCCCC1CCCC1=O
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Product OPENEYE NAME: (1-isopropyl-4-methyl-cyclohex-3-en-1-yl) acetate
CAS Name: acetic acid (4-methyl-1-propan-2-yl-1-cyclohex-3-enyl) ester
IUPAC NAME: (4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) acetate
SYSTEMATIC NAME: (4-methyl-1-propan-2-yl-cyclohex-3-en-1-yl) ethanoate
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: CC1=CCC(CC1)(C(C)C)OC(=O)C
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Product OPENEYE NAME: 1-(5-methoxy-1H-indol-3-yl)-N-methyl-propan-2-amine
CAS Name: 1-(5-methoxy-1H-indol-3-yl)-N-methyl-2-propanamine
IUPAC NAME: 1-(5-methoxy-1H-indol-3-yl)-N-methylpropan-2-amine
SYSTEMATIC NAME: 1-(5-methoxy-1H-indol-3-yl)-N-methyl-propan-2-amine
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: CC(CC1=CNC2=C1C=C(C=C2)OC)NC
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Product OPENEYE NAME: 2-[cyanomethyl(cyclohexyl)amino]acetonitrile
CAS Name: 2-[cyanomethyl(cyclohexyl)amino]acetonitrile
IUPAC NAME: 2-[cyanomethyl(cyclohexyl)amino]acetonitrile
SYSTEMATIC NAME: 2-[cyanomethyl(cyclohexyl)amino]ethanenitrile
MOLECULAR FORMULA: C10H15N3
MOLECULAR WEIGHT: 177.2462
SMILES: C1CCC(CC1)N(CC#N)CC#N
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Product OPENEYE NAME: 2-bromoethyl prop-2-enoate
CAS Name: 2-propenoic acid 2-bromoethyl ester
IUPAC NAME: 2-bromoethyl prop-2-enoate
SYSTEMATIC NAME: 2-bromoethyl prop-2-enoate
MOLECULAR FORMULA: C5H7BrO2
MOLECULAR WEIGHT: 179.01188
SMILES: C=CC(=O)OCCBr
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Product OPENEYE NAME: 2,3,5,6-tetrachloro-4-nitro-phenol
CAS Name: 2,3,5,6-tetrachloro-4-nitrophenol
IUPAC NAME: 2,3,5,6-tetrachloro-4-nitrophenol
SYSTEMATIC NAME: 2,3,5,6-tetrakis(chloranyl)-4-nitro-phenol
MOLECULAR FORMULA: C6HCl4NO3
MOLECULAR WEIGHT: 276.88904
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: (4-bromo-2,5-dichloro-phenoxy)-diethoxy-thioxo-$l^{5}-phosphane
CAS Name: (4-bromo-2,5-dichlorophenoxy)-diethoxy-sulfanylidenephosphorane
IUPAC NAME: (4-bromo-2,5-dichlorophenoxy)-diethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: [4-bromanyl-2,5-bis(chloranyl)phenoxy]-diethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C10H12BrCl2O3PS
MOLECULAR WEIGHT: 394.049241
SMILES: CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)Br)Cl
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Product OPENEYE NAME: (2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl]amino]-3-phenyl-propanoic acid
CAS Name: (2S)-2-[[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]-oxomethyl]amino]-3-phenylpropanoic acid
IUPAC NAME: (2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(3R)-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C20H19NO6
MOLECULAR WEIGHT: 369.36796
SMILES: C[C@@H]1CC2=C(C(=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O)C(=O)O1
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Product OPENEYE NAME: dodec-2-enal
CAS Name: 2-dodecenal
IUPAC NAME: dodec-2-enal
SYSTEMATIC NAME: dodec-2-enal
MOLECULAR FORMULA: C12H22O
MOLECULAR WEIGHT: 182.30248
SMILES: CCCCCCCCCC=CC=O
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Product OPENEYE NAME: calcium 2-(trimethylammonio)ethyl phosphate chloride
CAS Name: calcium 2-(trimethylammonio)ethyl phosphate chloride
IUPAC NAME: calcium 2-(trimethylazaniumyl)ethyl phosphate chloride
SYSTEMATIC NAME: calcium 2-(trimethylazaniumyl)ethyl phosphate chloride
MOLECULAR FORMULA: C5H13CaClNO4P
MOLECULAR WEIGHT: 257.665781
SMILES: C[N+](C)(C)CCOP(=O)([O-])[O-].[Cl-].[Ca+2]
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Product OPENEYE NAME: (6S,9R,16R)-9-chloro-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
CAS Name: (6S,9R,16R)-9-chloro-6-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (6S,9R,16R)-9-chloro-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,9R,16R)-9-chloranyl-6-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H28ClFO4
MOLECULAR WEIGHT: 410.906723
SMILES: C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=CC4([C@]3(C(CC2(C1C(=O)CO)C)O)Cl)C)F
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Product OPENEYE NAME: 1,3-dithiolane
CAS Name: 1,3-dithiolane
IUPAC NAME: 1,3-dithiolane
SYSTEMATIC NAME: 1,3-dithiolane
MOLECULAR FORMULA: C3H6S2
MOLECULAR WEIGHT: 106.20974
SMILES: C1CSCS1
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Product OPENEYE NAME: 1-ethylindane
CAS Name: 1-ethyl-2,3-dihydro-1H-indene
IUPAC NAME: 1-ethyl-2,3-dihydro-1H-indene
SYSTEMATIC NAME: 1-ethyl-2,3-dihydro-1H-indene
MOLECULAR FORMULA: C11H14
MOLECULAR WEIGHT: 146.22886
SMILES: CCC1CCC2=CC=CC=C12
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Product OPENEYE NAME: N,N'-dibutylhexane-1,6-diamine
CAS Name: N,N'-dibutylhexane-1,6-diamine
IUPAC NAME: N,N'-dibutylhexane-1,6-diamine
SYSTEMATIC NAME: N,N'-dibutylhexane-1,6-diamine
MOLECULAR FORMULA: C14H32N2
MOLECULAR WEIGHT: 228.41728
SMILES: CCCCNCCCCCCNCCCC
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Product OPENEYE NAME: 2-methylsulfanylethyl prop-2-enoate
CAS Name: 2-propenoic acid 2-(methylthio)ethyl ester
IUPAC NAME: 2-methylsulfanylethyl prop-2-enoate
SYSTEMATIC NAME: 2-methylsulfanylethyl prop-2-enoate
MOLECULAR FORMULA: C6H10O2S
MOLECULAR WEIGHT: 146.2074
SMILES: CSCCOC(=O)C=C
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