Tuesday, September 25, 2012

http://ChemLookup.com Compounds




CAS RN: 19056-03-2
CAS Name: 4-methylbenzenesulfonate; N1-[4-[oxo-[(1-propyl-6-quinolin-1-iumyl)amino]methyl]phenyl]-N4-(1-propyl-6-quinolin-1-iumyl)benzene-1,4-dicarboxamide
OPENEYE Name: 4-methylbenzenesulfonate; N4-(1-propylquinolin-1-ium-6-yl)-N1-[4-[(1-propylquinolin-1-ium-6-yl)carbamoyl]phenyl]terephthalamide
IUPAC Name: 4-methylbenzenesulfonate; 4-N-(1-propylquinolin-1-ium-6-yl)-1-N-[4-[(1-propylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
SYSTEMATIC NAME: 4-methylbenzenesulfonate; N4-(1-propylquinolin-1-ium-6-yl)-N1-[4-[(1-propylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C53H51N5O9S2
MOLECULAR WEIGHT: 966.13014
SMILES: CCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC6=C(C=C5)[N+](=CC=C6)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:

CAS RN: 19056-01-0
CAS Name: 4-methylbenzenesulfonate; N4-(1-methyl-6-quinolin-1-iumyl)-N1-[4-[[(1-methyl-6-quinolin-1-iumyl)amino]-oxomethyl]phenyl]benzene-1,4-dicarboxamide
OPENEYE Name: 4-methylbenzenesulfonate; N4-(1-methylquinolin-1-ium-6-yl)-N1-[4-[(1-methylquinolin-1-ium-6-yl)carbamoyl]phenyl]terephthalamide
IUPAC Name: 4-methylbenzenesulfonate; 4-N-(1-methylquinolin-1-ium-6-yl)-1-N-[4-[(1-methylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
SYSTEMATIC NAME: 4-methylbenzenesulfonate; N4-(1-methylquinolin-1-ium-6-yl)-N1-[4-[(1-methylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C49H43N5O9S2
MOLECULAR WEIGHT: 910.02382
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC6=C(C=C5)[N+](=CC=C6)C
Structure:

CAS RN: 19055-99-3
CAS Name: 1-butyl-N-[4-[[(1-butyl-6-quinolin-1-iumyl)amino]-oxomethyl]phenyl]-6-quinolin-1-iumcarboxamide; 4-methylbenzenesulfonate
OPENEYE Name: 1-butyl-N-[4-[(1-butylquinolin-1-ium-6-yl)carbamoyl]phenyl]quinolin-1-ium-6-carboxamide; 4-methylbenzenesulfonate
IUPAC Name: 1-butyl-N-[4-[(1-butylquinolin-1-ium-6-yl)carbamoyl]phenyl]quinolin-1-ium-6-carboxamide; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 1-butyl-N-[4-[(1-butylquinolin-1-ium-6-yl)carbamoyl]phenyl]quinolin-1-ium-6-carboxamide; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C48H50N4O8S2
MOLECULAR WEIGHT: 875.0626
SMILES: CCCC[N+]1=CC=CC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:

CAS RN: 19055-86-8
CAS Name: N1,N4-bis[4-[[(1-ethyl-2-pyridinylidene)amino]-oxomethyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
OPENEYE Name: N1,N4-bis[4-[(1-ethyl-2-pyridylidene)carbamoyl]phenyl]terephthalamide; 4-methylbenzenesulfonic acid
IUPAC Name: 1-N,4-N-bis[4-[(1-ethylpyridin-2-ylidene)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: N1,N4-bis[4-[(1-ethylpyridin-2-ylidene)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C50H48N6O10S2
MOLECULAR WEIGHT: 957.08032
SMILES: CCN1C=CC=CC1=NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)N=C5C=CC=CN5CC.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O
Structure:

CAS RN: 19045-16-0
CAS Name: N-[1-(benzenesulfinyl)-3-phenylpropan-2-yl]benzamide
OPENEYE Name: N-[1-(benzenesulfinylmethyl)-2-phenyl-ethyl]benzamide
IUPAC Name: N-[1-(benzenesulfinyl)-3-phenylpropan-2-yl]benzamide
SYSTEMATIC NAME: N-[1-phenyl-3-(phenylsulfinyl)propan-2-yl]benzamide
MOLECULAR FORMULA: C22H21NO2S
MOLECULAR WEIGHT: 363.47264
SMILES: C1=CC=C(C=C1)CC(CS(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3
Structure:

CAS RN: 19045-15-9
CAS Name: N-[1-phenyl-3-(phenylmethylthio)propan-2-yl]benzamide
OPENEYE Name: N-(1-benzyl-2-benzylsulfanyl-ethyl)benzamide
IUPAC Name: N-(1-benzylsulfanyl-3-phenylpropan-2-yl)benzamide
SYSTEMATIC NAME: N-[1-phenyl-3-(phenylmethylsulfanyl)propan-2-yl]benzamide
MOLECULAR FORMULA: C23H23NOS
MOLECULAR WEIGHT: 361.49982
SMILES: C1=CC=C(C=C1)CC(CSCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
Structure:

CAS RN: 19042-19-4
CAS Name: 2-hydroxypropanoate; neodymium(3+)
OPENEYE Name: 2-hydroxypropanoate; neodymium(3+)
IUPAC Name: 2-hydroxypropanoate; neodymium(3+)
SYSTEMATIC NAME: neodymium(3+); 2-oxidanylpropanoate
MOLECULAR FORMULA: C9H15NdO9
MOLECULAR WEIGHT: 411.45
SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Nd+3]
Structure:

CAS RN: 19039-44-2
CAS Name: 2-amino-3-hydroxy-7H-purin-6-one hydrochloride
OPENEYE Name: 2-amino-3-hydroxy-7H-purin-6-one hydrochloride
IUPAC Name: 2-amino-3-hydroxy-7H-purin-6-one hydrochloride
SYSTEMATIC NAME: 2-azanyl-3-oxidanyl-7H-purin-6-one hydrochloride
MOLECULAR FORMULA: C10H11ClN10O4
MOLECULAR WEIGHT: 370.71194
SMILES: C1=NC2=C(N1)C(=O)N=C(N2O)N.C1=NC2=C(N1)C(=O)N=C(N2O)N.Cl
Structure:

CAS RN: 19039-24-8
CAS Name: spiro[1-azabicyclo[2.2.2]octane-3,2'-thiazolidine] dihydrochloride
OPENEYE Name: spiro[quinuclidine-3,2'-thiazolidine] dihydrochloride
IUPAC Name: spiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane] dihydrochloride
SYSTEMATIC NAME: spiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane] dihydrochloride
MOLECULAR FORMULA: C9H18Cl2N2S
MOLECULAR WEIGHT: 257.22362
SMILES: C1CN2CCC1C3(C2)NCCS3.Cl.Cl
Structure:

CAS RN: 19038-39-2
CAS Name: 3-ethyl-3-(4-nitrophenyl)-2-azetidinone
OPENEYE Name: 3-ethyl-3-(4-nitrophenyl)azetidin-2-one
IUPAC Name: 3-ethyl-3-(4-nitrophenyl)azetidin-2-one
SYSTEMATIC NAME: 3-ethyl-3-(4-nitrophenyl)azetidin-2-one
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: CCC1(CNC1=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:

CAS RN: 19035-83-7
CAS Name: 2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-[4-[4-[2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]phenyl]phenyl]ethanone dibromide
OPENEYE Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[4-[4-[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone dibromide
IUPAC Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[4-[4-[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone dibromide
SYSTEMATIC NAME: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[4-[4-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoyl]phenyl]phenyl]ethanone dibromide
MOLECULAR FORMULA: C30H30Br2N2O2
MOLECULAR WEIGHT: 610.3794
SMILES: CC1=C([N+](=CC=C1)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+]4=CC=CC(=C4C)C)C.[Br-].[Br-]
Structure:

CAS RN: 19025-95-7
CAS Name: bismuth 2-sulfidoacetate
OPENEYE Name: bismuth 2-sulfidoacetate
IUPAC Name: bismuth 2-sulfidoacetate
SYSTEMATIC NAME: bismuth 2-sulfanidylethanoate
MOLECULAR FORMULA: C6H6BiO6S3-3
MOLECULAR WEIGHT: 479.28362
SMILES: C(C(=O)[O-])[S-].C(C(=O)[O-])[S-].C(C(=O)[O-])[S-].[Bi+3]
Structure:

CAS RN: 19025-69-5
CAS Name: 6-chloro-3-ethyl-1-prop-2-enyl-5-propylpyrimidine-2,4-dione
OPENEYE Name: 1-allyl-6-chloro-3-ethyl-5-propyl-pyrimidine-2,4-dione
IUPAC Name: 6-chloro-3-ethyl-1-prop-2-enyl-5-propylpyrimidine-2,4-dione
SYSTEMATIC NAME: 6-chloranyl-3-ethyl-1-prop-2-enyl-5-propyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H17ClN2O2
MOLECULAR WEIGHT: 256.72858
SMILES: CCCC1=C(N(C(=O)N(C1=O)CC)CC=C)Cl
Structure:

CAS RN: 19025-68-4
CAS Name: 6-chloro-3-methyl-1-prop-2-enyl-5-propylpyrimidine-2,4-dione
OPENEYE Name: 1-allyl-6-chloro-3-methyl-5-propyl-pyrimidine-2,4-dione
IUPAC Name: 6-chloro-3-methyl-1-prop-2-enyl-5-propylpyrimidine-2,4-dione
SYSTEMATIC NAME: 6-chloranyl-3-methyl-1-prop-2-enyl-5-propyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H15ClN2O2
MOLECULAR WEIGHT: 242.702
SMILES: CCCC1=C(N(C(=O)N(C1=O)C)CC=C)Cl
Structure:

CAS RN: 19022-35-6
CAS Name: 2-hydroxypropanoate; lanthanum(3+)
OPENEYE Name: 2-hydroxypropanoate; lanthanum(3+)
IUPAC Name: 2-hydroxypropanoate; lanthanum(3+)
SYSTEMATIC NAME: lanthanum(3+); 2-oxidanylpropanoate
MOLECULAR FORMULA: C9H15LaO9
MOLECULAR WEIGHT: 406.1155
SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.CC(C(=O)[O-])O.[La+3]
Structure:

CAS RN: 19021-35-3
CAS Name: 4-amino-3-chloro-N,N-dimethylbenzenesulfonamide
OPENEYE Name: 4-amino-3-chloro-N,N-dimethyl-benzenesulfonamide
IUPAC Name: 4-amino-3-chloro-N,N-dimethylbenzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-3-chloranyl-N,N-dimethyl-benzenesulfonamide
MOLECULAR FORMULA: C8H11ClN2O2S
MOLECULAR WEIGHT: 234.70314
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)N)Cl
Structure:

CAS RN: 19018-24-7
CAS Name: 1-(1H-benzimidazol-2-yl)ethanol
OPENEYE Name: 1-(1H-benzimidazol-2-yl)ethanol
IUPAC Name: 1-(1H-benzimidazol-2-yl)ethanol
SYSTEMATIC NAME: 1-(1H-benzimidazol-2-yl)ethanol
MOLECULAR FORMULA: C9H10N2O
MOLECULAR WEIGHT: 162.1885
SMILES: CC(C1=NC2=CC=CC=C2N1)O
Structure:

CAS RN: 19014-73-4
CAS Name: 2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetic acid methyl ester
OPENEYE Name: methyl 2-[(3-acetamido-2,4,6-triiodo-phenyl)methyl-(2-methoxy-2-oxo-ethyl)amino]acetate
IUPAC Name: methyl 2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SYSTEMATIC NAME: methyl 2-[[3-acetamido-2,4,6-tris(iodanyl)phenyl]methyl-(2-methoxy-2-oxidanylidene-ethyl)amino]ethanoate
MOLECULAR FORMULA: C15H17I3N2O5
MOLECULAR WEIGHT: 686.01929
SMILES: CC(=O)NC1=C(C=C(C(=C1I)CN(CC(=O)OC)CC(=O)OC)I)I
Structure:

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