Thursday, June 30, 2011

http://ChemLookup.com Compounds




CAS RN: 106354-01-2
CAS Name: 1-(chloro-fluoro-nitromethyl)-2,3-difluorobenzene
OPENEYE Name: 1-(chloro-fluoro-nitro-methyl)-2,3-difluoro-benzene
IUPAC Name: 1-(chloro-fluoro-nitromethyl)-2,3-difluorobenzene
SYSTEMATIC NAME: 1-(chloranyl-fluoranyl-nitro-methyl)-2,3-bis(fluoranyl)benzene
MOLECULAR FORMULA: C7H3ClF3NO2
MOLECULAR WEIGHT: 225.55243
SMILES: C1=CC(=C(C(=C1)F)F)C([N+](=O)[O-])(F)Cl

CAS RN: 21571-34-6
CAS Name: potassium 2-fluoro-4-nitrophenol
OPENEYE Name: potassium 2-fluoro-4-nitro-phenol
IUPAC Name: potassium 2-fluoro-4-nitrophenol
SYSTEMATIC NAME: potassium 2-fluoranyl-4-nitro-phenol
MOLECULAR FORMULA: C6H4FKNO3+
MOLECULAR WEIGHT: 196.197563
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)O.[K+]

CAS RN: 3457-97-4
CAS Name: decane-1,10-diol dinitrate
OPENEYE Name: decane-1,10-diol dinitrate
IUPAC Name: decane-1,10-diol dinitrate
SYSTEMATIC NAME: decane-1,10-diol dinitrate
MOLECULAR FORMULA: C10H22N2O8-2
MOLECULAR WEIGHT: 298.29028
SMILES: C(CCCCCO)CCCCO.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

CAS RN: 108544-98-5
CAS Name: 3-chloro-4,5-dimethoxybenzoic acid methyl ester
OPENEYE Name: methyl 3-chloro-4,5-dimethoxy-benzoate
IUPAC Name: methyl 3-chloro-4,5-dimethoxybenzoate
SYSTEMATIC NAME: methyl 3-chloranyl-4,5-dimethoxy-benzoate
MOLECULAR FORMULA: C10H11ClO4
MOLECULAR WEIGHT: 230.64494
SMILES: COC1=C(C(=CC(=C1)C(=O)OC)Cl)OC

CAS RN: 102129-17-9
CAS Name: lithium 4-butyl-1,2-diphenylpyrazolidine-3,5-dione
OPENEYE Name: lithium 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione
IUPAC Name: lithium 4-butyl-1,2-diphenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: lithium 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C19H20LiN2O2+
MOLECULAR WEIGHT: 315.3153
SMILES: [Li+].CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

CAS RN: 4430-22-2
CAS Name: sodium 2-[bis(3,5-dichloro-2-hydroxyphenyl)methyl]-5-chlorobenzenesulfonate
OPENEYE Name: sodium 2-[bis(3,5-dichloro-2-hydroxy-phenyl)methyl]-5-chloro-benzenesulfonate
IUPAC Name: sodium 2-[bis(3,5-dichloro-2-hydroxyphenyl)methyl]-5-chlorobenzenesulfonate
SYSTEMATIC NAME: sodium 2-[bis[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methyl]-5-chloranyl-benzenesulfonate
MOLECULAR FORMULA: C19H10Cl5NaO5S
MOLECULAR WEIGHT: 550.59947
SMILES: C1=CC(=C(C=C1Cl)S(=O)(=O)[O-])C(C2=CC(=CC(=C2O)Cl)Cl)C3=CC(=CC(=C3O)Cl)Cl.[Na+]

CAS RN: 16941-10-9
CAS Name: aluminum calcium hydride
OPENEYE Name: aluminum calcium hydride
IUPAC Name: aluminum calcium hydride
SYSTEMATIC NAME: aluminum calcium hydride
MOLECULAR FORMULA: AlCaH+4
MOLECULAR WEIGHT: 68.067478
SMILES: [H-].[Al+3].[Ca+2]

CAS RN: 973-63-7
CAS Name: 4-chlorobenzenesulfonic acid (2,4-dinitrophenyl) ester
OPENEYE Name: (2,4-dinitrophenyl) 4-chlorobenzenesulfonate
IUPAC Name: (2,4-dinitrophenyl) 4-chlorobenzenesulfonate
SYSTEMATIC NAME: (2,4-dinitrophenyl) 4-chloranylbenzenesulfonate
MOLECULAR FORMULA: C12H7ClN2O7S
MOLECULAR WEIGHT: 358.71118
SMILES: C1=CC(=CC=C1S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

CAS RN: 12314-64-6
CAS Name: magnesium sodium fluoride silicate
OPENEYE Name: magnesium sodium fluoride silicate
IUPAC Name: magnesium sodium fluoride silicate
SYSTEMATIC NAME: magnesium sodium fluoride silicate
MOLECULAR FORMULA: FMgNaO4Si-2
MOLECULAR WEIGHT: 158.376273
SMILES: [O-][Si]([O-])([O-])[O-].[F-].[Na+].[Mg+2]

CAS RN: 104156-84-5
CAS Name: 4,4-dichloro-5-oxopentanenitrile
OPENEYE Name: 4,4-dichloro-5-oxo-pentanenitrile
IUPAC Name: 4,4-dichloro-5-oxopentanenitrile
SYSTEMATIC NAME: 4,4-bis(chloranyl)-5-oxidanylidene-pentanenitrile
MOLECULAR FORMULA: C5H5Cl2NO
MOLECULAR WEIGHT: 166.0053
SMILES: C(CC(C=O)(Cl)Cl)C#N

CAS RN: 22221-12-1
CAS Name: copper 2-nitroacetate
OPENEYE Name: copper 2-nitroacetate
IUPAC Name: copper 2-nitroacetate
SYSTEMATIC NAME: copper 2-nitroethanoate
MOLECULAR FORMULA: C2H2CuNO4+
MOLECULAR WEIGHT: 167.58758
SMILES: C(C(=O)[O-])[N+](=O)[O-].[Cu+2]

CAS RN: 17829-86-6
CAS Name: samarium triacetate
OPENEYE Name: samarium triacetate
IUPAC Name: samarium triacetate
SYSTEMATIC NAME: samarium triethanoate
MOLECULAR FORMULA: C6H9O6Sm-3
MOLECULAR WEIGHT: 327.49206
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sm]

CAS RN: 15123-92-9
CAS Name: thallium(1+) selenite
OPENEYE Name: thallium(1+) selenite
IUPAC Name: thallium(1+) selenite
SYSTEMATIC NAME: thallium(1+) selenite
MOLECULAR FORMULA: O3SeTl-
MOLECULAR WEIGHT: 331.3415
SMILES: [O-][Se](=O)[O-].[Tl+]

CAS RN: 55491-33-3
CAS Name: 2-(2,3,5-trichlorophenoxy)acetic acid pentyl ester
OPENEYE Name: pentyl 2-(2,3,5-trichlorophenoxy)acetate
IUPAC Name: pentyl 2-(2,3,5-trichlorophenoxy)acetate
SYSTEMATIC NAME: pentyl 2-[2,3,5-tris(chloranyl)phenoxy]ethanoate
MOLECULAR FORMULA: C13H15Cl3O3
MOLECULAR WEIGHT: 325.6154
SMILES: CCCCCOC(=O)COC1=CC(=CC(=C1Cl)Cl)Cl

CAS RN: 12379-51-0
CAS Name: 2-ethylhexanoate; trimethyl(1-phenyltridecyl)ammonium
OPENEYE Name: 2-ethylhexanoate; trimethyl(1-phenyltridecyl)ammonium
IUPAC Name: 2-ethylhexanoate; trimethyl(1-phenyltridecyl)azanium
SYSTEMATIC NAME: 2-ethylhexanoate; trimethyl(1-phenyltridecyl)azanium
MOLECULAR FORMULA: C30H55NO2
MOLECULAR WEIGHT: 461.7632
SMILES: CCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(C)C.CCCCC(CC)C(=O)[O-]

CAS RN: 68442-72-8
CAS Name: 2-aminoethanol; 2-dodecylbenzenesulfonate
OPENEYE Name: 2-aminoethanol; 2-dodecylbenzenesulfonate
IUPAC Name: 2-aminoethanol; 2-dodecylbenzenesulfonate
SYSTEMATIC NAME: 2-azanylethanol; 2-dodecylbenzenesulfonate
MOLECULAR FORMULA: C20H36NO4S-
MOLECULAR WEIGHT: 386.56914
SMILES: CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C(CO)N

CAS RN: 140899-23-6
CAS Name: 2,4,6,8,10-pentachloroundecane
OPENEYE Name: 2,4,6,8,10-pentachloroundecane
IUPAC Name: 2,4,6,8,10-pentachloroundecane
SYSTEMATIC NAME: 2,4,6,8,10-pentakis(chloranyl)undecane
MOLECULAR FORMULA: C11H19Cl5
MOLECULAR WEIGHT: 328.53356
SMILES: CC(CC(CC(CC(CC(C)Cl)Cl)Cl)Cl)Cl

CAS RN: 213460-67-4
CAS Name: N-(2-ethoxyphenyl)-2-hydroxy-5-nitrobenzamide
OPENEYE Name: N-(2-ethoxyphenyl)-2-hydroxy-5-nitro-benzamide
IUPAC Name: N-(2-ethoxyphenyl)-2-hydroxy-5-nitrobenzamide
SYSTEMATIC NAME: N-(2-ethoxyphenyl)-5-nitro-2-oxidanyl-benzamide
MOLECULAR FORMULA: C15H14N2O5
MOLECULAR WEIGHT: 302.28206
SMILES: CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

CAS RN: 12788-79-3
CAS Name: aluminum borate silicate
OPENEYE Name: aluminum borate silicate
IUPAC Name: aluminum borate silicate
SYSTEMATIC NAME: aluminum borate silicate
MOLECULAR FORMULA: AlBO7Si-4
MOLECULAR WEIGHT: 177.873838
SMILES: B([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Al+3]

CAS RN: 89816-16-0
CAS Name: calcium 5-[2-(trifluoromethyl)phenoxy]-2-pyridinecarboxylic acid
OPENEYE Name: calcium 5-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
IUPAC Name: calcium 5-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
SYSTEMATIC NAME: calcium 5-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
MOLECULAR FORMULA: C13H8CaF3NO3+2
MOLECULAR WEIGHT: 323.28073
SMILES: C1=CC=C(C(=C1)C(F)(F)F)OC2=CN=C(C=C2)C(=O)O.[Ca+2]

CAS RN: 102449-95-6
CAS Name: 3-chloro-2,2,3-trimethylhexane
OPENEYE Name: 3-chloro-2,2,3-trimethyl-hexane
IUPAC Name: 3-chloro-2,2,3-trimethylhexane
SYSTEMATIC NAME: 3-chloranyl-2,2,3-trimethyl-hexane
MOLECULAR FORMULA: C9H19Cl
MOLECULAR WEIGHT: 162.70016
SMILES: CCCC(C)(C(C)(C)C)Cl

CAS RN: 84522-19-0
CAS Name: 1-amino-4-(methylamino)-N-[1-[(3-methylcyclohexyl)amino]propyl]-9,10-dioxo-2-anthracenecarboxamide acetate
OPENEYE Name: 1-amino-4-(methylamino)-N-[1-[(3-methylcyclohexyl)amino]propyl]-9,10-dioxo-anthracene-2-carboxamide acetate
IUPAC Name: 1-amino-4-(methylamino)-N-[1-[(3-methylcyclohexyl)amino]propyl]-9,10-dioxoanthracene-2-carboxamide acetate
SYSTEMATIC NAME: 1-azanyl-4-(methylamino)-N-[1-[(3-methylcyclohexyl)amino]propyl]-9,10-bis(oxidanylidene)anthracene-2-carboxamide ethanoate
MOLECULAR FORMULA: C28H35N4O5-
MOLECULAR WEIGHT: 507.6013
SMILES: CCC(NC1CCCC(C1)C)NC(=O)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NC.CC(=O)[O-]

CAS RN: 24271-17-8
CAS Name: 4-(2,2-dimethyldecyl)benzenesulfonic acid
OPENEYE Name: 4-(2,2-dimethyldecyl)benzenesulfonic acid
IUPAC Name: 4-(2,2-dimethyldecyl)benzenesulfonic acid
SYSTEMATIC NAME: 4-(2,2-dimethyldecyl)benzenesulfonic acid
MOLECULAR FORMULA: C18H30O3S
MOLECULAR WEIGHT: 326.494
SMILES: CCCCCCCCC(C)(C)CC1=CC=C(C=C1)S(=O)(=O)O

CAS RN: 42757-92-6
CAS Name: (5,7-dichloro-1-indazolyl)methanol
OPENEYE Name: (5,7-dichloroindazol-1-yl)methanol
IUPAC Name: (5,7-dichloroindazol-1-yl)methanol
SYSTEMATIC NAME: [5,7-bis(chloranyl)indazol-1-yl]methanol
MOLECULAR FORMULA: C8H6Cl2N2O
MOLECULAR WEIGHT: 217.05204
SMILES: C1=C(C=C2C=NN(C2=C1Cl)CO)Cl

CAS RN: 89159-44-4
CAS Name: 1-methyl-5-nitro-3-phenyl-2-(1-pyrrolidinylmethyl)indole hydrochloride
OPENEYE Name: 1-methyl-5-nitro-3-phenyl-2-(pyrrolidin-1-ylmethyl)indole hydrochloride
IUPAC Name: 1-methyl-5-nitro-3-phenyl-2-(pyrrolidin-1-ylmethyl)indole hydrochloride
SYSTEMATIC NAME: 1-methyl-5-nitro-3-phenyl-2-(pyrrolidin-1-ylmethyl)indole hydrochloride
MOLECULAR FORMULA: C20H22ClN3O2
MOLECULAR WEIGHT: 371.86058
SMILES: CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1CN3CCCC3)C4=CC=CC=C4.Cl

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