Wednesday, August 31, 2011

http://ChemLookup.com Compounds




CAS RN: 64375-26-4
CAS Name: 2-methyl-2-propenoic acid (3,3,4,4-tetrafluoro-2-methylbutan-2-yl) ester
OPENEYE Name: (2,2,3,3-tetrafluoro-1,1-dimethyl-propyl) 2-methylprop-2-enoate
IUPAC Name: (3,3,4,4-tetrafluoro-2-methylbutan-2-yl) 2-methylprop-2-enoate
SYSTEMATIC NAME: [3,3,4,4-tetrakis(fluoranyl)-2-methyl-butan-2-yl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C9H12F4O2
MOLECULAR WEIGHT: 228.183993
SMILES: CC(=C)C(=O)OC(C)(C)C(C(F)F)(F)F
Structure:

CAS RN: 64147-47-3
CAS Name: aluminum sodium fluoride phosphate
OPENEYE Name: aluminum sodium fluoride phosphate
IUPAC Name: aluminum sodium fluoride phosphate
SYSTEMATIC NAME: aluminum sodium fluoride phosphate
MOLECULAR FORMULA: AlFNaO4P
MOLECULAR WEIGHT: 163.941072
SMILES: [O-]P(=O)([O-])[O-].[F-].[Na+].[Al+3]
Structure:

CAS RN: 63905-46-4
CAS Name: 2-methyl-2-(1-oxoprop-2-enoxy)propanoic acid methyl ester
OPENEYE Name: methyl 2-methyl-2-prop-2-enoyloxy-propanoate
IUPAC Name: methyl 2-methyl-2-prop-2-enoyloxypropanoate
SYSTEMATIC NAME: methyl 2-methyl-2-prop-2-enoyloxy-propanoate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: CC(C)(C(=O)OC)OC(=O)C=C
Structure:

CAS RN: 63573-83-1
CAS Name: butanoic acid (1-cyclohexyl-2-methylpropyl) ester
OPENEYE Name: (1-cyclohexyl-2-methyl-propyl) butanoate
IUPAC Name: (1-cyclohexyl-2-methylpropyl) butanoate
SYSTEMATIC NAME: (1-cyclohexyl-2-methyl-propyl) butanoate
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: CCCC(=O)OC(C1CCCCC1)C(C)C
Structure:

CAS RN: 62453-88-7
CAS Name: 2-[1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylpropan-2-yloxy]-N,N-diethylethanamine
OPENEYE Name: 2-[2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-1-methyl-ethoxy]-N,N-diethyl-ethanamine
IUPAC Name: 2-[1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylpropan-2-yloxy]-N,N-diethylethanamine
SYSTEMATIC NAME: 2-[1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylpropan-2-yloxy]-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C24H32ClN3O3S
MOLECULAR WEIGHT: 478.04718
SMILES: CCN(CC)CCOC(C)CS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl
Structure:

CAS RN: 62037-83-6
CAS Name: 2-methyl-2-propenoic acid (1-methyl-3-piperidinyl) ester
OPENEYE Name: (1-methyl-3-piperidyl) 2-methylprop-2-enoate
IUPAC Name: (1-methylpiperidin-3-yl) 2-methylprop-2-enoate
SYSTEMATIC NAME: (1-methylpiperidin-3-yl) 2-methylprop-2-enoate
MOLECULAR FORMULA: C10H17NO2
MOLECULAR WEIGHT: 183.24748
SMILES: CC(=C)C(=O)OC1CCCN(C1)C
Structure:

CAS RN: 60643-92-7
CAS Name: (2S)-N-[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-1-(2,4-dinitrophenyl)-2-
OPENEYE Name: (2S)-N-[(1S)-1-[[2-[[(1S,2S)-1-[[(1S)-2-[[2-[[(1S)-1-carbamoyl-4-guanidino-butyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-1-(2,4-dinitrophenyl)pyr
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethy
MOLECULAR FORMULA: C36H57N13O11
MOLECULAR WEIGHT: 847.91828
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 59737-02-9
CAS Name: 4-methoxy-N-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline acetate
OPENEYE Name: 4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline acetate
IUPAC Name: 4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate
SYSTEMATIC NAME: 4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline ethanoate
MOLECULAR FORMULA: C22H26N2O3
MOLECULAR WEIGHT: 366.45344
SMILES: CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1/C=C/NC3=CC=C(C=C3)OC)C)C
Structure:

CAS RN: 58093-31-5
CAS Name: 4-methyl-4-(phenylmethyl)morpholin-4-ium; methyl sulfate
OPENEYE Name: 4-benzyl-4-methyl-morpholin-4-ium; methyl sulfate
IUPAC Name: 4-benzyl-4-methylmorpholin-4-ium; methyl sulfate
SYSTEMATIC NAME: 4-methyl-4-(phenylmethyl)morpholin-4-ium; methyl sulfate
MOLECULAR FORMULA: C13H21NO5S
MOLECULAR WEIGHT: 303.37454
SMILES: C[N+]1(CCOCC1)CC2=CC=CC=C2.COS(=O)(=O)[O-]
Structure:

CAS RN: 57583-74-1
CAS Name: N-methyl-4-[(3-methyl-2-thiazol-3-iumyl)azo]-N-phenylaniline; methyl sulfate
OPENEYE Name: N-methyl-4-(3-methylthiazol-3-ium-2-yl)azo-N-phenyl-aniline; methyl sulfate
IUPAC Name: N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N-phenylaniline; methyl sulfate
SYSTEMATIC NAME: N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N-phenyl-aniline; methyl sulfate
MOLECULAR FORMULA: C18H20N4O4S2
MOLECULAR WEIGHT: 420.5058
SMILES: C[N+]1=C(SC=C1)N=NC2=CC=C(C=C2)N(C)C3=CC=CC=C3.COS(=O)(=O)[O-]
Structure:

CAS RN: 55850-00-5
CAS Name: 1-(4-chlorophenyl)-N-[(E)-[1-(2-methoxyethyl)-3,3-dimethyl-2-indol-1-iumyl]methylideneamino]methanamine chloride
OPENEYE Name: 1-(4-chlorophenyl)-N-[(E)-[1-(2-methoxyethyl)-3,3-dimethyl-indol-1-ium-2-yl]methyleneamino]methanamine chloride
IUPAC Name: 1-(4-chlorophenyl)-N-[(E)-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]methylideneamino]methanamine chloride
SYSTEMATIC NAME: 1-(4-chlorophenyl)-N-[(E)-[1-(2-methoxyethyl)-3,3-dimethyl-indol-1-ium-2-yl]methylideneamino]methanamine chloride
MOLECULAR FORMULA: C21H25Cl2N3O
MOLECULAR WEIGHT: 406.3487
SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=N/NCC3=CC=C(C=C3)Cl)CCOC)C.[Cl-]
Structure:

CAS RN: 55025-91-7
CAS Name: 2-hydroxypropanoic acid (1-octadecoxy-1-oxopropan-2-yl) ester
OPENEYE Name: (1-methyl-2-octadecoxy-2-oxo-ethyl) 2-hydroxypropanoate
IUPAC Name: (1-octadecoxy-1-oxopropan-2-yl) 2-hydroxypropanoate
SYSTEMATIC NAME: (1-octadecoxy-1-oxidanylidene-propan-2-yl) 2-oxidanylpropanoate
MOLECULAR FORMULA: C24H46O5
MOLECULAR WEIGHT: 414.61904
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C(C)OC(=O)C(C)O
Structure:

CAS RN: 93777-89-0
CAS Name: 2-[1-oxo-2-[(Z)-1-oxooctadec-9-enoxy]propoxy]propanoic acid
OPENEYE Name: 2-[2-[(Z)-octadec-9-enoyl]oxypropanoyloxy]propanoic acid
IUPAC Name: 2-[2-[(Z)-octadec-9-enoyl]oxypropanoyloxy]propanoic acid
SYSTEMATIC NAME: 2-[2-[(Z)-octadec-9-enoyl]oxypropanoyloxy]propanoic acid
MOLECULAR FORMULA: C24H42O6
MOLECULAR WEIGHT: 426.58668
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O
Structure:

CAS RN: 40317-69-9
CAS Name: 1-amino-4-hydroxy-5,8-bis(methylamino)anthracene-9,10-dione
OPENEYE Name: 1-amino-4-hydroxy-5,8-bis(methylamino)anthracene-9,10-dione
IUPAC Name: 1-amino-4-hydroxy-5,8-bis(methylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-azanyl-5,8-bis(methylamino)-4-oxidanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C16H15N3O3
MOLECULAR WEIGHT: 297.3086
SMILES: CNC1=C2C(=C(C=C1)NC)C(=O)C3=C(C=CC(=C3C2=O)N)O
Structure:

CAS RN: 39935-03-0
CAS Name: aminoammonium sulfamate
OPENEYE Name: aminoammonium sulfamate
IUPAC Name: aminoazanium sulfamate
SYSTEMATIC NAME: azanylazanium sulfamate
MOLECULAR FORMULA: H7N3O3S
MOLECULAR WEIGHT: 129.13888
SMILES: [NH3+]N.NS(=O)(=O)[O-]
Structure:

CAS RN: 39850-93-6
CAS Name: acetic acid (4,4a-dimethyl-6-propan-2-ylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl) ester
OPENEYE Name: (6-isopropylidene-4,4a-dimethyl-2,3,4,5,7,8-hexahydronaphthalen-2-yl) acetate
IUPAC Name: (4,4a-dimethyl-6-propan-2-ylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl) acetate
SYSTEMATIC NAME: (4,4a-dimethyl-6-propan-2-ylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl) ethanoate
MOLECULAR FORMULA: C17H26O2
MOLECULAR WEIGHT: 262.38714
SMILES: CC1CC(C=C2C1(CC(=C(C)C)CC2)C)OC(=O)C
Structure:

CAS RN: 39251-97-3
CAS Name: 2-furancarboxylic acid (2-methoxyphenyl) ester
OPENEYE Name: (2-methoxyphenyl) furan-2-carboxylate
IUPAC Name: (2-methoxyphenyl) furan-2-carboxylate
SYSTEMATIC NAME: (2-methoxyphenyl) furan-2-carboxylate
MOLECULAR FORMULA: C12H10O4
MOLECULAR WEIGHT: 218.2054
SMILES: COC1=CC=CC=C1OC(=O)C2=CC=CO2
Structure:

CAS RN: 38866-20-5
CAS Name: 1-hydroxy-4-[3-(4-methyl-4-morpholin-4-iumyl)propylamino]anthracene-9,10-dione; methyl sulfate
OPENEYE Name: 1-hydroxy-4-[3-(4-methylmorpholin-4-ium-4-yl)propylamino]anthracene-9,10-dione; methyl sulfate
IUPAC Name: 1-hydroxy-4-[3-(4-methylmorpholin-4-ium-4-yl)propylamino]anthracene-9,10-dione; methyl sulfate
SYSTEMATIC NAME: 1-[3-(4-methylmorpholin-4-ium-4-yl)propylamino]-4-oxidanyl-anthracene-9,10-dione; methyl sulfate
MOLECULAR FORMULA: C23H28N2O8S
MOLECULAR WEIGHT: 492.54202
SMILES: C[N+]1(CCOCC1)CCCNC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O.COS(=O)(=O)[O-]
Structure:

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