Thursday, June 30, 2011

http://ChemLookup.com Compounds




CAS RN: 73398-33-1
CAS Name: disodium 5-butyl-2-[[4-(4-butyl-2-sulfonatoanilino)-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]benzenesulfonate
OPENEYE Name: disodium 5-butyl-2-[[4-(4-butyl-2-sulfonato-anilino)-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]benzenesulfonate
IUPAC Name: disodium 5-butyl-2-[[4-(4-butyl-2-sulfonatoanilino)-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate
SYSTEMATIC NAME: disodium 5-butyl-2-[[4-[(4-butyl-2-sulfonato-phenyl)amino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate
MOLECULAR FORMULA: C34H32N2Na2O10S2
MOLECULAR WEIGHT: 738.73482
SMILES: CCCCC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)CCCC)S(=O)(=O)[O-])C(=O)C5=C(C=CC(=C5C3=O)O)O)S(=O)(=O)[O-].[Na+].[Na+]

CAS RN: 94109-69-0
CAS Name: (2E)-2-(3-ethyl-2-benzo[g][1,3]benzoxazolylidene)-N-phenylethanimine; 4-methylbenzenesulfonic acid
OPENEYE Name: (2E)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)-N-phenyl-ethanimine; 4-methylbenzenesulfonic acid
IUPAC Name: (2E)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)-N-phenylethanimine; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: (2E)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)-N-phenyl-ethanimine; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C28H26N2O4S
MOLECULAR WEIGHT: 486.58204
SMILES: CCN\1C2=C(C3=CC=CC=C3C=C2)O/C1=C/C=NC4=CC=CC=C4.CC1=CC=C(C=C1)S(=O)(=O)O

CAS RN: 94237-21-5
CAS Name: 2-nitroheptanedioate; tris(2-hydroxyethyl)ammonium
OPENEYE Name: 2-nitroheptanedioate; tris(2-hydroxyethyl)ammonium
IUPAC Name: 2-nitroheptanedioate; tris(2-hydroxyethyl)azanium
SYSTEMATIC NAME: 2-nitroheptanedioate; tris(2-hydroxyethyl)azanium
MOLECULAR FORMULA: C19H41N3O12
MOLECULAR WEIGHT: 503.54174
SMILES: C(CCC(=O)[O-])CC(C(=O)[O-])[N+](=O)[O-].C(CO)[NH+](CCO)CCO.C(CO)[NH+](CCO)CCO

CAS RN: 85098-63-1
CAS Name: 4-(4-fluorophenyl)-2-(hydroxymethyl)-8-(phenylmethyl)-2,4,8-triazaspiro[4.5]decan-1-one
OPENEYE Name: 8-benzyl-4-(4-fluorophenyl)-2-(hydroxymethyl)-2,4,8-triazaspiro[4.5]decan-1-one
IUPAC Name: 8-benzyl-4-(4-fluorophenyl)-2-(hydroxymethyl)-2,4,8-triazaspiro[4.5]decan-1-one
SYSTEMATIC NAME: 4-(4-fluorophenyl)-2-(hydroxymethyl)-8-(phenylmethyl)-2,4,8-triazaspiro[4.5]decan-1-one
MOLECULAR FORMULA: C21H24FN3O2
MOLECULAR WEIGHT: 369.432563
SMILES: C1CN(CCC12C(=O)N(CN2C3=CC=C(C=C3)F)CO)CC4=CC=CC=C4

CAS RN: 84145-56-2
CAS Name: 1-tert-butyl-3-(3,3-diethoxypropyl)benzene
OPENEYE Name: 1-tert-butyl-3-(3,3-diethoxypropyl)benzene
IUPAC Name: 1-tert-butyl-3-(3,3-diethoxypropyl)benzene
SYSTEMATIC NAME: 1-tert-butyl-3-(3,3-diethoxypropyl)benzene
MOLECULAR FORMULA: C17H28O2
MOLECULAR WEIGHT: 264.40302
SMILES: CCOC(CCC1=CC(=CC=C1)C(C)(C)C)OCC

CAS RN: 78232-15-2
CAS Name: 2,4-dichloro-3,5-dimethylphenol; diethoxy-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)oxy]-sulfanylidenephosphorane
OPENEYE Name: 2,4-dichloro-3,5-dimethyl-phenol; diethoxy-(2-isopropyl-6-methyl-pyrimidin-4-yl)oxy-thioxo-$l^{5}-phosphane
IUPAC Name: 2,4-dichloro-3,5-dimethylphenol; diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: 2,4-bis(chloranyl)-3,5-dimethyl-phenol; diethoxy-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)oxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C20H29Cl2N2O4PS
MOLECULAR WEIGHT: 495.400021
SMILES: CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C.CC1=CC(=C(C(=C1Cl)C)Cl)O

CAS RN: 12042-65-8
CAS Name: aluminum; calcium
OPENEYE Name: aluminum; calcium
IUPAC Name: aluminum; calcium
SYSTEMATIC NAME: aluminum; calcium
MOLECULAR FORMULA: Al2Ca
MOLECULAR WEIGHT: 94.041076
SMILES: [Al].[Al].[Ca]

CAS RN: 93839-64-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H28N11NaO18S4
MOLECULAR WEIGHT: 1101.96299
SMILES: C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)N=NC3=C(C=CC(=C3O)N)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C(=C5O)N=NC6=CC=C(C=C6)NC7=C(C=C(C=C7)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)O.[Na+]

CAS RN: 83198-00-9
CAS Name: (Z)-13-docosenoic acid [3-[(Z)-1-oxodocos-13-enoxy]-2,2-bis[[(Z)-1-oxodocos-13-enoxy]methyl]propyl] ester
OPENEYE Name: [3-[(Z)-docos-13-enoyl]oxy-2,2-bis[[(Z)-docos-13-enoyl]oxymethyl]propyl] (Z)-docos-13-enoate
IUPAC Name: [3-[(Z)-docos-13-enoyl]oxy-2,2-bis[[(Z)-docos-13-enoyl]oxymethyl]propyl] (Z)-docos-13-enoate
SYSTEMATIC NAME: [3-[(Z)-docos-13-enoyl]oxy-2,2-bis[[(Z)-docos-13-enoyl]oxymethyl]propyl] (Z)-docos-13-enoate
MOLECULAR FORMULA: C93H172O8
MOLECULAR WEIGHT: 1418.35598
SMILES: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

CAS RN: 85866-12-2
CAS Name: (4Z,8Z)-4,8,12-trimethyl-1-cyclododeca-4,8-dienol
OPENEYE Name: (4Z,8Z)-4,8,12-trimethylcyclododeca-4,8-dien-1-ol
IUPAC Name: (4Z,8Z)-4,8,12-trimethylcyclododeca-4,8-dien-1-ol
SYSTEMATIC NAME: (4Z,8Z)-4,8,12-trimethylcyclododeca-4,8-dien-1-ol
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: CC1CC/C=C(\CC/C=C(\CCC1O)/C)/C

CAS RN: 94135-66-7
CAS Name: disodium; N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; dodecanedioate
OPENEYE Name: disodium; N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; dodecanedioate
IUPAC Name: disodium; N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; dodecanedioate
SYSTEMATIC NAME: disodium; N'-[2-[2-(2-azanylethylamino)ethylamino]ethyl]ethane-1,2-diamine; dodecanedioate
MOLECULAR FORMULA: C20H43N5Na2O4
MOLECULAR WEIGHT: 463.56606
SMILES: C(CCCCCC(=O)[O-])CCCCC(=O)[O-].C(CNCCNCCNCCN)N.[Na+].[Na+]

CAS RN: 117292-47-4
CAS Name: sodium 2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetate
OPENEYE Name: sodium 2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetate
IUPAC Name: sodium 2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetate
SYSTEMATIC NAME: sodium 2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethanoate
MOLECULAR FORMULA: C21H41NaO6
MOLECULAR WEIGHT: 412.53641
SMILES: CCCCCCCCCCCCCOCCOCCOCCOCC(=O)[O-].[Na+]

CAS RN: 160011-33-6
CAS Name: sodium 2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetate
OPENEYE Name: sodium 2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetate
IUPAC Name: sodium 2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetate
SYSTEMATIC NAME: sodium 2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethanoate
MOLECULAR FORMULA: C21H41NaO6
MOLECULAR WEIGHT: 412.53641
SMILES: CCCCCCCCCCCCCOCCOCCOCCOCC(=O)[O-].[Na+]

CAS RN: 130328-27-7
CAS Name: sodium 2-amino-5-[[(2,3-dichloro-6-quinoxalinyl)-oxomethyl]amino]benzenesulfonate
OPENEYE Name: sodium 2-amino-5-[(2,3-dichloroquinoxaline-6-carbonyl)amino]benzenesulfonate
IUPAC Name: sodium 2-amino-5-[(2,3-dichloroquinoxaline-6-carbonyl)amino]benzenesulfonate
SYSTEMATIC NAME: sodium 2-azanyl-5-[[2,3-bis(chloranyl)quinoxalin-6-yl]carbonylamino]benzenesulfonate
MOLECULAR FORMULA: C15H9Cl2N4NaO4S
MOLECULAR WEIGHT: 435.21713
SMILES: C1=CC2=C(C=C1C(=O)NC3=CC(=C(C=C3)N)S(=O)(=O)[O-])N=C(C(=N2)Cl)Cl.[Na+]

CAS RN: 156090-17-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26N6O
MOLECULAR WEIGHT: 366.46004
SMILES: CNCCNC1=C2CC3=C(C=NC=C3)C4=NN(C(=C24)C=C1)CCNCCO

CAS RN: 97171-76-1
CAS Name: octanoic acid 2-[2-[2-[2-(1-oxooctoxy)ethoxy]ethoxy]ethoxy]ethyl ester
OPENEYE Name: 2-[2-[2-(2-octanoyloxyethoxy)ethoxy]ethoxy]ethyl octanoate
IUPAC Name: 2-[2-[2-(2-octanoyloxyethoxy)ethoxy]ethoxy]ethyl octanoate
SYSTEMATIC NAME: 2-[2-[2-(2-octanoyloxyethoxy)ethoxy]ethoxy]ethyl octanoate
MOLECULAR FORMULA: C24H46O7
MOLECULAR WEIGHT: 446.61784
SMILES: CCCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCCC

CAS RN: 72894-18-9
CAS Name: trisodium (3Z)-5-amino-3-[(4-aminophenyl)hydrazinylidene]-6-[4-[4-(2,4-diaminophenyl)azoanilino]-3-sulfonatophenyl]azo-4-oxonaphthalene-2,7-disulfonate
OPENEYE Name: trisodium (3Z)-5-amino-3-[(4-aminophenyl)hydrazono]-6-[4-[4-(2,4-diaminophenyl)azoanilino]-3-sulfonato-phenyl]azo-4-oxo-naphthalene-2,7-disulfonate
IUPAC Name: trisodium (3Z)-5-amino-3-[(4-aminophenyl)hydrazinylidene]-6-[[4-[4-[(2,4-diaminophenyl)diazenyl]anilino]-3-sulfonatophenyl]diazenyl]-4-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: trisodium (3Z)-3-[(4-aminophenyl)hydrazinylidene]-5-azanyl-6-[[4-[[4-[[2,4-bis(azanyl)phenyl]diazenyl]phenyl]amino]-3-sulfonato-phenyl]diazenyl]-4-oxidanylidene-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C34H26N11Na3O10S3
MOLECULAR WEIGHT: 913.80225
SMILES: C1=CC(=CC=C1N)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC(=C(C=C4)NC5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

CAS RN: 81207-65-0
CAS Name: carbamic acid 2,2,2-trichloroethyl ester; 4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone
OPENEYE Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; 2,2,2-trichloroethyl carbamate
IUPAC Name: 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one; 2,2,2-trichloroethyl carbamate
SYSTEMATIC NAME: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; 2,2,2-tris(chloranyl)ethyl carbamate
MOLECULAR FORMULA: C16H21Cl3N4O3
MOLECULAR WEIGHT: 423.72194
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.C(C(Cl)(Cl)Cl)OC(=O)N

CAS RN: 134971-35-0
CAS Name: N',N'-dimethylpropane-1,3-diamine; formic acid
OPENEYE Name: N',N'-dimethylpropane-1,3-diamine; formic acid
IUPAC Name: N',N'-dimethylpropane-1,3-diamine; formic acid
SYSTEMATIC NAME: N',N'-dimethylpropane-1,3-diamine; methanoic acid
MOLECULAR FORMULA: C7H18N2O4
MOLECULAR WEIGHT: 194.22882
SMILES: CN(C)CCCN.C(=O)O.C(=O)O

CAS RN: 93893-95-9
CAS Name: magnesium 4,4-dimethylpentanoate
OPENEYE Name: magnesium 4,4-dimethylpentanoate
IUPAC Name: magnesium 4,4-dimethylpentanoate
SYSTEMATIC NAME: magnesium 4,4-dimethylpentanoate
MOLECULAR FORMULA: C14H26MgO4
MOLECULAR WEIGHT: 282.65884
SMILES: CC(C)(C)CCC(=O)[O-].CC(C)(C)CCC(=O)[O-].[Mg+2]

CAS RN: 70815-07-5
CAS Name: disodium 5-[[5-[[(4-chlorophenyl)-oxomethyl]amino]-2-sulfonatophenyl]hydrazo]-6-imino-4-oxo-2-naphthalenesulfonate
OPENEYE Name: disodium 5-[2-[5-[(4-chlorobenzoyl)amino]-2-sulfonato-phenyl]hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonate
IUPAC Name: disodium 5-[2-[5-[(4-chlorobenzoyl)amino]-2-sulfonatophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate
SYSTEMATIC NAME: disodium 6-azanylidene-5-[2-[5-[(4-chlorophenyl)carbonylamino]-2-sulfonato-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate
MOLECULAR FORMULA: C23H15ClN4Na2O8S2
MOLECULAR WEIGHT: 620.94974
SMILES: C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)S(=O)(=O)[O-])NNC3=C4C(=CC(=CC4=O)S(=O)(=O)[O-])C=CC3=N)Cl.[Na+].[Na+]

CAS RN: 77442-41-2
CAS Name: (2R,5S,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; dicyclohexylammonium
OPENEYE Name: (2R,5S,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; dicyclohexylammonium
IUPAC Name: (2R,5S,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; dicyclohexylazanium
SYSTEMATIC NAME: (2R,5S,6S)-6-bromanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; dicyclohexylazanium
MOLECULAR FORMULA: C20H33BrN2O3S
MOLECULAR WEIGHT: 461.45662
SMILES: CC1([C@H](N2[C@@H](S1)[C@H](C2=O)Br)C(=O)[O-])C.C1CCC(CC1)[NH2+]C2CCCCC2

CAS RN: 97862-56-1
CAS Name: 2-ethylhexanoic acid 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl ester
OPENEYE Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
SYSTEMATIC NAME: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
MOLECULAR FORMULA: C36H72O16
MOLECULAR WEIGHT: 760.94728
SMILES: CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

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