Friday, June 29, 2012

http://ChemLookup.com Compounds




CAS RN: 53210-27-8
CAS Name: 3,7-dimethylocta-2,6-dienylbenzene
OPENEYE Name: 3,7-dimethylocta-2,6-dienylbenzene
IUPAC Name: 3,7-dimethylocta-2,6-dienylbenzene
SYSTEMATIC NAME: 3,7-dimethylocta-2,6-dienylbenzene
MOLECULAR FORMULA: C16H22
MOLECULAR WEIGHT: 214.34588
SMILES: CC(=CCCC(=CCC1=CC=CC=C1)C)C
Structure:

CAS RN: 77940-99-9
CAS Name: 6,6-dimethyl-4-oxo-3-bicyclo[3.1.1]heptanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 6,6-dimethyl-2-oxo-norpinane-3-carboxylate
IUPAC Name: ethyl 6,6-dimethyl-4-oxobicyclo[3.1.1]heptane-3-carboxylate
SYSTEMATIC NAME: ethyl 6,6-dimethyl-4-oxidanylidene-bicyclo[3.1.1]heptane-3-carboxylate
MOLECULAR FORMULA: C12H18O3
MOLECULAR WEIGHT: 210.26952
SMILES: CCOC(=O)C1CC2CC(C1=O)C2(C)C
Structure:

CAS RN: 6469-58-5
CAS Name: 1-hydroxy-6,6-dimethyl-3-pentyl-7,8-dihydro-6aH-benzo[c][1]benzopyran-9-one
OPENEYE Name: 1-hydroxy-6,6-dimethyl-3-pentyl-7,8-dihydro-6aH-benzo[c]chromen-9-one
IUPAC Name: 1-hydroxy-6,6-dimethyl-3-pentyl-7,8-dihydro-6aH-benzo[c]chromen-9-one
SYSTEMATIC NAME: 6,6-dimethyl-1-oxidanyl-3-pentyl-7,8-dihydro-6aH-benzo[c]chromen-9-one
MOLECULAR FORMULA: C20H26O3
MOLECULAR WEIGHT: 314.41864
SMILES: CCCCCC1=CC2=C(C3=CC(=O)CCC3C(O2)(C)C)C(=C1)O
Structure:

CAS RN: 63064-32-4
CAS Name: 4-methylbenzenesulfonic acid 2-(1-methylcyclopropyl)ethyl ester
OPENEYE Name: 2-(1-methylcyclopropyl)ethyl 4-methylbenzenesulfonate
IUPAC Name: 2-(1-methylcyclopropyl)ethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2-(1-methylcyclopropyl)ethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C13H18O3S
MOLECULAR WEIGHT: 254.34522
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC2(CC2)C
Structure:

CAS RN: 781-03-3
CAS Name: 4-methylbenzenesulfonic acid 3-methylbut-3-enyl ester
OPENEYE Name: 3-methylbut-3-enyl 4-methylbenzenesulfonate
IUPAC Name: 3-methylbut-3-enyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 3-methylbut-3-enyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C12H16O3S
MOLECULAR WEIGHT: 240.31864
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC(=C)C
Structure:

CAS RN: 3558-06-3
CAS Name: 4-methylbenzenesulfonic acid cyclopentyl ester
OPENEYE Name: cyclopentyl 4-methylbenzenesulfonate
IUPAC Name: cyclopentyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: cyclopentyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C12H16O3S
MOLECULAR WEIGHT: 240.31864
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC2
Structure:

CAS RN: 68880-56-8
CAS Name: 4-methylbenzenesulfonic acid 3,3-dimethylbutyl ester
OPENEYE Name: 3,3-dimethylbutyl 4-methylbenzenesulfonate
IUPAC Name: 3,3-dimethylbutyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 3,3-dimethylbutyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C13H20O3S
MOLECULAR WEIGHT: 256.3611
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)(C)C
Structure:

CAS RN: 66688-08-2
CAS Name: 2-(2-cyclopropylethoxymethoxy)ethylcyclopropane
OPENEYE Name: 2-(2-cyclopropylethoxymethoxy)ethylcyclopropane
IUPAC Name: 2-(2-cyclopropylethoxymethoxy)ethylcyclopropane
SYSTEMATIC NAME: 2-(2-cyclopropylethoxymethoxy)ethylcyclopropane
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: C1CC1CCOCOCCC2CC2
Structure:

CAS RN: 48057-46-1
CAS Name: 4-(but-3-enoxymethoxy)-1-butene
OPENEYE Name: 4-(but-3-enoxymethoxy)but-1-ene
IUPAC Name: 4-(but-3-enoxymethoxy)but-1-ene
SYSTEMATIC NAME: 4-(but-3-enoxymethoxy)but-1-ene
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: C=CCCOCOCCC=C
Structure:

CAS RN: 66688-06-0
CAS Name: 2-methoxyethylcyclopropane
OPENEYE Name: 2-methoxyethylcyclopropane
IUPAC Name: 2-methoxyethylcyclopropane
SYSTEMATIC NAME: 2-methoxyethylcyclopropane
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: COCCC1CC1
Structure:

CAS RN: 4696-30-4
CAS Name: 4-methoxy-1-butene
OPENEYE Name: 4-methoxybut-1-ene
IUPAC Name: 4-methoxybut-1-ene
SYSTEMATIC NAME: 4-methoxybut-1-ene
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: COCCC=C
Structure:

CAS RN: 34108-21-9
CAS Name: 2-cyclopropylacetic acid methyl ester
OPENEYE Name: methyl 2-cyclopropylacetate
IUPAC Name: methyl 2-cyclopropylacetate
SYSTEMATIC NAME: methyl 2-cyclopropylethanoate
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: COC(=O)CC1CC1
Structure:

CAS RN: 19687-04-8
CAS Name: 2-(1-methylcyclopropyl)ethanol
OPENEYE Name: 2-(1-methylcyclopropyl)ethanol
IUPAC Name: 2-(1-methylcyclopropyl)ethanol
SYSTEMATIC NAME: 2-(1-methylcyclopropyl)ethanol
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CC1(CC1)CCO
Structure:

CAS RN: 62781-99-1
CAS Name: formic acid cyclopentyl ester
OPENEYE Name: cyclopentyl formate
IUPAC Name: cyclopentyl formate
SYSTEMATIC NAME: cyclopentyl methanoate
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: C1CCC(C1)OC=O
Structure:

CAS RN: 67672-74-6
CAS Name: 4-methyl-4-propyl-1-cyclohex-2-enone
OPENEYE Name: 4-methyl-4-propyl-cyclohex-2-en-1-one
IUPAC Name: 4-methyl-4-propylcyclohex-2-en-1-one
SYSTEMATIC NAME: 4-methyl-4-propyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CCCC1(CCC(=O)C=C1)C
Structure:

CAS RN: 51020-13-4
CAS Name: 4-methyl-4-phenyl-1-cyclohex-2-enone
OPENEYE Name: 4-methyl-4-phenyl-cyclohex-2-en-1-one
IUPAC Name: 4-methyl-4-phenylcyclohex-2-en-1-one
SYSTEMATIC NAME: 4-methyl-4-phenyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C13H14O
MOLECULAR WEIGHT: 186.24966
SMILES: CC1(CCC(=O)C=C1)C2=CC=CC=C2
Structure:

CAS RN: 33449-60-4
CAS Name: 1,8-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
OPENEYE Name: 1,8-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
IUPAC Name: 1,8-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
SYSTEMATIC NAME: 1,8-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CC1CCCC2C1=C(C(=O)CC2)C
Structure:

CAS RN: 20328-15-8
CAS Name: 3-methyl-4-isoxazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-methylisoxazole-4-carboxylate
IUPAC Name: ethyl 3-methyl-1,2-oxazole-4-carboxylate
SYSTEMATIC NAME: ethyl 3-methyl-1,2-oxazole-4-carboxylate
MOLECULAR FORMULA: C7H9NO3
MOLECULAR WEIGHT: 155.15126
SMILES: CCOC(=O)C1=CON=C1C
Structure:

CAS RN: 42333-78-8
CAS Name: 2,4,6-tripyridin-4-yl-1,3,5-triazine
OPENEYE Name: 2,4,6-tris(4-pyridyl)-1,3,5-triazine
IUPAC Name: 2,4,6-tripyridin-4-yl-1,3,5-triazine
SYSTEMATIC NAME: 2,4,6-tripyridin-4-yl-1,3,5-triazine
MOLECULAR FORMULA: C18H12N6
MOLECULAR WEIGHT: 312.32808
SMILES: C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4
Structure:

CAS RN: 51004-14-9
CAS Name: 2-(2-oxocyclopentyl)acetonitrile
OPENEYE Name: 2-(2-oxocyclopentyl)acetonitrile
IUPAC Name: 2-(2-oxocyclopentyl)acetonitrile
SYSTEMATIC NAME: 2-(2-oxidanylidenecyclopentyl)ethanenitrile
MOLECULAR FORMULA: C7H9NO
MOLECULAR WEIGHT: 123.15246
SMILES: C1CC(C(=O)C1)CC#N
Structure:

CAS RN: 4169-27-1
CAS Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
OPENEYE Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
IUPAC Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
SYSTEMATIC NAME: 3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: C1CCC2C(C1)CCC(=O)N2
Structure:

CAS RN: 38262-57-6
CAS Name: 2-[(1-amino-2-naphthalenyl)disulfanyl]-1-naphthalenamine
OPENEYE Name: 2-[(1-amino-2-naphthyl)disulfanyl]naphthalen-1-amine
IUPAC Name: 2-[(1-aminonaphthalen-2-yl)disulfanyl]naphthalen-1-amine
SYSTEMATIC NAME: 2-[(1-azanylnaphthalen-2-yl)disulfanyl]naphthalen-1-amine
MOLECULAR FORMULA: C20H16N2S2
MOLECULAR WEIGHT: 348.48444
SMILES: C1=CC=C2C(=C1)C=CC(=C2N)SSC3=C(C4=CC=CC=C4C=C3)N
Structure:

CAS RN: 62113-91-1
CAS Name: methanesulfonic acid (4-methyl-2-oxo-1-benzopyran-6-yl) ester
OPENEYE Name: (4-methyl-2-oxo-chromen-6-yl) methanesulfonate
IUPAC Name: (4-methyl-2-oxochromen-6-yl) methanesulfonate
SYSTEMATIC NAME: (4-methyl-2-oxidanylidene-chromen-6-yl) methanesulfonate
MOLECULAR FORMULA: C11H10O5S
MOLECULAR WEIGHT: 254.2591
SMILES: CC1=CC(=O)OC2=C1C=C(C=C2)OS(=O)(=O)C
Structure:

CAS RN: 62113-97-7
CAS Name: methanesulfonic acid (4-methyl-8-methylsulfonyloxy-2-oxo-1-benzopyran-7-yl) ester
OPENEYE Name: (4-methyl-8-methylsulfonyloxy-2-oxo-chromen-7-yl) methanesulfonate
IUPAC Name: (4-methyl-8-methylsulfonyloxy-2-oxochromen-7-yl) methanesulfonate
SYSTEMATIC NAME: (4-methyl-8-methylsulfonyloxy-2-oxidanylidene-chromen-7-yl) methanesulfonate
MOLECULAR FORMULA: C12H12O8S2
MOLECULAR WEIGHT: 348.34888
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2OS(=O)(=O)C)OS(=O)(=O)C
Structure:

CAS RN: 62113-90-0
CAS Name: methanesulfonic acid (2-oxo-1-benzopyran-4-yl) ester
OPENEYE Name: (2-oxochromen-4-yl) methanesulfonate
IUPAC Name: (2-oxochromen-4-yl) methanesulfonate
SYSTEMATIC NAME: (2-oxidanylidenechromen-4-yl) methanesulfonate
MOLECULAR FORMULA: C10H8O5S
MOLECULAR WEIGHT: 240.23252
SMILES: CS(=O)(=O)OC1=CC(=O)OC2=CC=CC=C21
Structure:

CAS RN: 62113-86-4
CAS Name: methanesulfonic acid (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl) ester
OPENEYE Name: (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-chroman-7-yl) methanesulfonate
IUPAC Name: (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate
SYSTEMATIC NAME: (2,2-dimethyl-5-methylsulfonyloxy-4-oxidanylidene-3H-chromen-7-yl) methanesulfonate
MOLECULAR FORMULA: C13H16O8S2
MOLECULAR WEIGHT: 364.39134
SMILES: CC1(CC(=O)C2=C(C=C(C=C2O1)OS(=O)(=O)C)OS(=O)(=O)C)C
Structure:

CAS RN: 70960-80-4
CAS Name: 2,5-bis(dodecylamino)-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis(dodecylamino)-3-methoxy-6-methyl-1,4-benzoquinone
IUPAC Name: 2,5-bis(dodecylamino)-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(dodecylamino)-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C32H58N2O3
MOLECULAR WEIGHT: 518.81452
SMILES: CCCCCCCCCCCCNC1=C(C(=O)C(=C(C1=O)OC)NCCCCCCCCCCCC)C
Structure:

CAS RN: 70960-86-0
CAS Name: 2,5-bis(cyclopentylamino)-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis(cyclopentylamino)-3-methoxy-6-methyl-1,4-benzoquinone
IUPAC Name: 2,5-bis(cyclopentylamino)-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(cyclopentylamino)-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C18H26N2O3
MOLECULAR WEIGHT: 318.41064
SMILES: CC1=C(C(=O)C(=C(C1=O)NC2CCCC2)OC)NC3CCCC3
Structure:

CAS RN: 70960-84-8
CAS Name: 2-methoxy-5-methyl-3,6-bis(2-phenylethylamino)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-methoxy-5-methyl-3,6-bis(2-phenylethylamino)-1,4-benzoquinone
IUPAC Name: 2-methoxy-5-methyl-3,6-bis(2-phenylethylamino)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-methoxy-5-methyl-3,6-bis(2-phenylethylamino)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C24H26N2O3
MOLECULAR WEIGHT: 390.47484
SMILES: CC1=C(C(=O)C(=C(C1=O)NCCC2=CC=CC=C2)OC)NCCC3=CC=CC=C3
Structure:

CAS RN: 81431-01-8
CAS Name: N-(4-iodophenyl)-1-[4-[(4-iodophenyl)iminomethyl]phenyl]methanimine
OPENEYE Name: N-(4-iodophenyl)-1-[4-[(4-iodophenyl)iminomethyl]phenyl]methanimine
IUPAC Name: N-(4-iodophenyl)-1-[4-[(4-iodophenyl)iminomethyl]phenyl]methanimine
SYSTEMATIC NAME: N-(4-iodophenyl)-1-[4-[(4-iodophenyl)iminomethyl]phenyl]methanimine
MOLECULAR FORMULA: C20H14I2N2
MOLECULAR WEIGHT: 536.1475
SMILES: C1=CC(=CC=C1C=NC2=CC=C(C=C2)I)C=NC3=CC=C(C=C3)I
Structure:

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