Wednesday, August 31, 2011

http://ChemLookup.com Compounds




CAS RN: 83029-01-0
CAS Name: 1-dodecanesulfonic acid
OPENEYE Name: (2-hydroxy-3-oxo-2,3-diphenyl-propyl) dodecane-1-sulfonate
IUPAC Name: (2-hydroxy-3-oxo-2,3-diphenylpropyl) dodecane-1-sulfonate
SYSTEMATIC NAME: (2-oxidanyl-3-oxidanylidene-2,3-diphenyl-propyl) dodecane-1-sulfonate
MOLECULAR FORMULA: C27H38O5S
MOLECULAR WEIGHT: 474.65262
SMILES: CCCCCCCCCCCCS(=O)(=O)OCC(C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)O
Structure:

CAS RN: 83006-49-9
CAS Name: sodium 2-[4-[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]azoanilino]-5-nitrobenzenesulfonate
OPENEYE Name: sodium 2-[4-[3-methyl-4-(p-tolylsulfonyloxy)phenyl]azoanilino]-5-nitro-benzenesulfonate
IUPAC Name: sodium 2-[4-[[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate
SYSTEMATIC NAME: sodium 2-[[4-[[3-methyl-4-(4-methylphenyl)sulfonyloxy-phenyl]diazenyl]phenyl]amino]-5-nitro-benzenesulfonate
MOLECULAR FORMULA: C26H21N4NaO8S2
MOLECULAR WEIGHT: 604.58671
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)N=NC3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])C.[Na+]
Structure:

CAS RN: 82941-06-8
CAS Name: 2-methyl-2-propenoic acid [2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl] ester
OPENEYE Name: [2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenyl] 2-methylprop-2-enoate
IUPAC Name: [2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [4-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propan-2-yl]-2,6-bis(bromanyl)phenyl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C19H16Br4O3
MOLECULAR WEIGHT: 611.94454
SMILES: CC(=C)C(=O)OC1=C(C=C(C=C1Br)C(C)(C)C2=CC(=C(C(=C2)Br)O)Br)Br
Structure:

CAS RN: 82469-78-1
CAS Name: acetic acid (2-cyano-2-oxoethyl) ester
OPENEYE Name: (2-cyano-2-oxo-ethyl) acetate
IUPAC Name: (2-cyano-2-oxoethyl) acetate
SYSTEMATIC NAME: (2-cyano-2-oxidanylidene-ethyl) ethanoate
MOLECULAR FORMULA: C5H5NO3
MOLECULAR WEIGHT: 127.0981
SMILES: CC(=O)OCC(=O)C#N
Structure:

CAS RN: 82049-48-7
CAS Name: ethanethioic acid S-(4-acetamido-5-methyl-1,2,4-triazol-3-yl) ester
OPENEYE Name: S-(4-acetamido-5-methyl-1,2,4-triazol-3-yl) ethanethioate
IUPAC Name: S-(4-acetamido-5-methyl-1,2,4-triazol-3-yl) ethanethioate
SYSTEMATIC NAME: S-(4-acetamido-5-methyl-1,2,4-triazol-3-yl) ethanethioate
MOLECULAR FORMULA: C7H10N4O2S
MOLECULAR WEIGHT: 214.2449
SMILES: CC1=NN=C(N1NC(=O)C)SC(=O)C
Structure:

CAS RN: 81892-56-0
CAS Name: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]methanamine thiocyanate
OPENEYE Name: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]methanamine thiocyanate
IUPAC Name: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine thiocyanate
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine thiocyanate
MOLECULAR FORMULA: C21H24N4OS
MOLECULAR WEIGHT: 380.50646
SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=N/NCC3=CC=C(C=C3)OC)C)C.C(#N)[S-]
Structure:

CAS RN: 81892-55-9
CAS Name: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]methanamine hydroxide
OPENEYE Name: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]methanamine hydroxide
IUPAC Name: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine hydroxide
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine hydroxide
MOLECULAR FORMULA: C20H25N3O2
MOLECULAR WEIGHT: 339.4314
SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=N/NCC3=CC=C(C=C3)OC)C)C.[OH-]
Structure:

CAS RN: 81419-36-5
CAS Name: 1,5-diamino-2-[4-(2-ethoxyethoxy)phenyl]-4,8-dihydroxyanthracene-9,10-dione
OPENEYE Name: 1,5-diamino-2-[4-(2-ethoxyethoxy)phenyl]-4,8-dihydroxy-anthracene-9,10-dione
IUPAC Name: 1,5-diamino-2-[4-(2-ethoxyethoxy)phenyl]-4,8-dihydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1,5-bis(azanyl)-2-[4-(2-ethoxyethoxy)phenyl]-4,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C24H22N2O6
MOLECULAR WEIGHT: 434.44128
SMILES: CCOCCOC1=CC=C(C=C1)C2=CC(=C3C(=C2N)C(=O)C4=C(C=CC(=C4C3=O)N)O)O
Structure:

CAS RN: 80997-88-2
CAS Name: 4-(4-aminoanilino)benzenediazonium; hydrogen sulfate
OPENEYE Name: 4-(4-aminoanilino)benzenediazonium; hydrogen sulfate
IUPAC Name: 4-(4-aminoanilino)benzenediazonium; hydrogen sulfate
SYSTEMATIC NAME: 4-[(4-aminophenyl)amino]benzenediazonium; hydrogen sulfate
MOLECULAR FORMULA: C12H12N4O4S
MOLECULAR WEIGHT: 308.31308
SMILES: C1=CC(=CC=C1N)NC2=CC=C(C=C2)[N+]#N.OS(=O)(=O)[O-]
Structure:

CAS RN: 80228-85-9
CAS Name: ethoxymethyl-bis(3-triethoxysilylpropylamino)silicon
OPENEYE Name: ethoxymethyl-bis(3-triethoxysilylpropylamino)silicon
IUPAC Name: ethoxymethyl-bis(3-triethoxysilylpropylamino)silicon
SYSTEMATIC NAME: ethoxymethyl-bis(3-triethoxysilylpropylamino)silicon
MOLECULAR FORMULA: C21H51N2O7Si3
MOLECULAR WEIGHT: 527.89534
SMILES: CCOC[Si](NCCC[Si](OCC)(OCC)OCC)NCCC[Si](OCC)(OCC)OCC
Structure:

CAS RN: 80162-59-0
CAS Name: 2-[4-[(E)-2-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)ethenyl]-1-pyridin-1-iumyl]ethanol chloride
OPENEYE Name: 2-[4-[(E)-2-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)vinyl]pyridin-1-ium-1-yl]ethanol chloride
IUPAC Name: 2-[4-[(E)-2-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethanol chloride
SYSTEMATIC NAME: 2-[4-[(E)-2-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)ethenyl]pyridin-1-ium-1-yl]ethanol chloride
MOLECULAR FORMULA: C23H31ClN2O
MOLECULAR WEIGHT: 386.95804
SMILES: CCN1C2=C(C=C(C=C2)/C=C/C3=CC=[N+](C=C3)CCO)C(CC1(C)C)C.[Cl-]
Structure:

CAS RN: 80118-10-1
CAS Name: 2-hydroxybenzoic acid 4-methylpent-4-en-2-yl ester
OPENEYE Name: 1,3-dimethylbut-3-enyl 2-hydroxybenzoate
IUPAC Name: 4-methylpent-4-en-2-yl 2-hydroxybenzoate
SYSTEMATIC NAME: 4-methylpent-4-en-2-yl 2-oxidanylbenzoate
MOLECULAR FORMULA: C13H16O3
MOLECULAR WEIGHT: 220.26434
SMILES: CC(CC(=C)C)OC(=O)C1=CC=CC=C1O
Structure:

CAS RN: 79922-11-5
CAS Name: octadecanoic acid 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)ethyl ester
OPENEYE Name: 2-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)ethyl octadecanoate
IUPAC Name: 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl octadecanoate
SYSTEMATIC NAME: 2-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)ethyl octadecanoate
MOLECULAR FORMULA: C33H56O4
MOLECULAR WEIGHT: 516.79534
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCC1(CCC2=C(C(=C(C(=C2O1)C)C)O)C)C
Structure:

CAS RN: 79817-67-7
CAS Name: 1-amino-2-[2-(2-methoxyethoxy)ethoxy]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione
OPENEYE Name: 1-amino-2-[2-(2-methoxyethoxy)ethoxy]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione
IUPAC Name: 1-amino-2-[2-(2-methoxyethoxy)ethoxy]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-azanyl-2-[2-(2-methoxyethoxy)ethoxy]-4-[(2,4,6-trimethylphenyl)amino]anthracene-9,10-dione
MOLECULAR FORMULA: C28H30N2O5
MOLECULAR WEIGHT: 474.5482
SMILES: CC1=CC(=C(C(=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OCCOCCOC)C
Structure:

CAS RN: 79817-57-5
CAS Name: 1-(4-hydroxyanilino)-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-9,10-dione
OPENEYE Name: 1-(4-hydroxyanilino)-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-9,10-dione
IUPAC Name: 1-(4-hydroxyanilino)-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-9,10-dione
SYSTEMATIC NAME: 1-[(4-hydroxyphenyl)amino]-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-9,10-dione
MOLECULAR FORMULA: C29H30N2O3
MOLECULAR WEIGHT: 454.5601
SMILES: CC1CC(CC(C1)(C)C)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)O)C(=O)C5=CC=CC=C5C3=O
Structure:

CAS RN: 79817-56-4
CAS Name: 1,4-bis(2,4-diethyl-6-methylanilino)anthracene-9,10-dione
OPENEYE Name: 1,4-bis(2,4-diethyl-6-methyl-anilino)anthracene-9,10-dione
IUPAC Name: 1,4-bis(2,4-diethyl-6-methylanilino)anthracene-9,10-dione
SYSTEMATIC NAME: 1,4-bis[(2,4-diethyl-6-methyl-phenyl)amino]anthracene-9,10-dione
MOLECULAR FORMULA: C36H38N2O2
MOLECULAR WEIGHT: 530.69912
SMILES: CCC1=CC(=C(C(=C1)CC)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4CC)CC)C)C(=O)C5=CC=CC=C5C3=O)C
Structure:

CAS RN: 79641-29-5
CAS Name: 1-amino-4-[5-(2-hydroxyethylsulfonyl)-2-methoxyanilino]anthracene-9,10-dione
OPENEYE Name: 1-amino-4-[5-(2-hydroxyethylsulfonyl)-2-methoxy-anilino]anthracene-9,10-dione
IUPAC Name: 1-amino-4-[5-(2-hydroxyethylsulfonyl)-2-methoxyanilino]anthracene-9,10-dione
SYSTEMATIC NAME: 1-azanyl-4-[[5-(2-hydroxyethylsulfonyl)-2-methoxy-phenyl]amino]anthracene-9,10-dione
MOLECULAR FORMULA: C23H20N2O6S
MOLECULAR WEIGHT: 452.4797
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)CCO)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O
Structure:

CAS RN: 79542-42-0
CAS Name: 4,8-diamino-1,5-dihydroxy-2,6-bis(4-methoxyphenyl)anthracene-9,10-dione
OPENEYE Name: 4,8-diamino-1,5-dihydroxy-2,6-bis(4-methoxyphenyl)anthracene-9,10-dione
IUPAC Name: 4,8-diamino-1,5-dihydroxy-2,6-bis(4-methoxyphenyl)anthracene-9,10-dione
SYSTEMATIC NAME: 4,8-bis(azanyl)-2,6-bis(4-methoxyphenyl)-1,5-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C28H22N2O6
MOLECULAR WEIGHT: 482.48408
SMILES: COC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=C(C(=C4C3=O)O)C5=CC=C(C=C5)OC)N)N
Structure:

CAS RN: 78974-42-2
CAS Name: [3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] dihydrogen phosphate
OPENEYE Name: [3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] dihydrogen phosphate
IUPAC Name: [3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] dihydrogen phosphate
SYSTEMATIC NAME: [3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecakis(fluoranyl)-9-(trifluoromethyl)decyl] dihydrogen phosphate
MOLECULAR FORMULA: C11H6F19O4P
MOLECULAR WEIGHT: 594.106362
SMILES: C(COP(=O)(O)O)C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:

CAS RN: 78641-41-5
CAS Name: 2-(4-hydroxyphenyl)propanedioic acid O1-(2,5-dioxo-1-pyrrolidinyl) ester O3-[(4-methoxyphenyl)methyl] ester
OPENEYE Name: O1-(2,5-dioxopyrrolidin-1-yl) O3-[(4-methoxyphenyl)methyl] 2-(4-hydroxyphenyl)propanedioate
IUPAC Name: 1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-[(4-methoxyphenyl)methyl] 2-(4-hydroxyphenyl)propanedioate
SYSTEMATIC NAME: O1-[2,5-bis(oxidanylidene)pyrrolidin-1-yl] O3-[(4-methoxyphenyl)methyl] 2-(4-hydroxyphenyl)propanedioate
MOLECULAR FORMULA: C21H19NO8
MOLECULAR WEIGHT: 413.37746
SMILES: COC1=CC=C(C=C1)COC(=O)C(C2=CC=C(C=C2)O)C(=O)ON3C(=O)CCC3=O
Structure:

CAS RN: 77946-99-7
CAS Name: 1-(cyclohexylamino)-4-(4-ethoxyanilino)anthracene-9,10-dione
OPENEYE Name: 1-(cyclohexylamino)-4-(4-ethoxyanilino)anthracene-9,10-dione
IUPAC Name: 1-(cyclohexylamino)-4-(4-ethoxyanilino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-(cyclohexylamino)-4-[(4-ethoxyphenyl)amino]anthracene-9,10-dione
MOLECULAR FORMULA: C28H28N2O3
MOLECULAR WEIGHT: 440.53352
SMILES: CCOC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4CCCCC4)C(=O)C5=CC=CC=C5C3=O
Structure:

CAS RN: 77536-70-0
CAS Name: 1-(4H-1,3-benzodioxin-6-yl)-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]methanamine; methyl sulfate
OPENEYE Name: 1-(4H-1,3-benzodioxin-6-yl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]methanamine; methyl sulfate
IUPAC Name: 1-(4H-1,3-benzodioxin-6-yl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine; methyl sulfate
SYSTEMATIC NAME: 1-(4H-1,3-benzodioxin-6-yl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine; methyl sulfate
MOLECULAR FORMULA: C22H27N3O6S
MOLECULAR WEIGHT: 461.53128
SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=N/NCC3=CC4=C(C=C3)OCOC4)C)C.COS(=O)(=O)[O-]
Structure:

CAS RN: 77101-52-1
CAS Name: 1-tetradecylquinolin-1-ium bromide
OPENEYE Name: 1-tetradecylquinolin-1-ium bromide
IUPAC Name: 1-tetradecylquinolin-1-ium bromide
SYSTEMATIC NAME: 1-tetradecylquinolin-1-ium bromide
MOLECULAR FORMULA: C23H36BrN
MOLECULAR WEIGHT: 406.44264
SMILES: CCCCCCCCCCCCCC[N+]1=CC=CC2=CC=CC=C21.[Br-]
Structure:

CAS RN: 76643-49-7
CAS Name: 4,5-diamino-1,8-dihydroxy-2,7-bis(2-methylpropyl)anthracene-9,10-dione
OPENEYE Name: 4,5-diamino-1,8-dihydroxy-2,7-diisobutyl-anthracene-9,10-dione
IUPAC Name: 4,5-diamino-1,8-dihydroxy-2,7-bis(2-methylpropyl)anthracene-9,10-dione
SYSTEMATIC NAME: 4,5-bis(azanyl)-2,7-bis(2-methylpropyl)-1,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C22H26N2O4
MOLECULAR WEIGHT: 382.45284
SMILES: CC(C)CC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)N)CC(C)C)O)N
Structure:

CAS RN: 76425-74-6
CAS Name: 2-oxoethanesulfinic acid
OPENEYE Name: 2-oxoethanesulfinic acid
IUPAC Name: 2-oxoethanesulfinic acid
SYSTEMATIC NAME: 2-oxidanylideneethanesulfinic acid
MOLECULAR FORMULA: C2H4O3S
MOLECULAR WEIGHT: 108.11636
SMILES: C(C=O)S(=O)O
Structure:

No comments:

Post a Comment