Tuesday, November 27, 2012

http://ChemLookup.com Compounds




CAS RN: 43069-64-3
CAS Name: 2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
OPENEYE Name: 2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
IUPAC Name: 2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C14H12ClNO2
MOLECULAR WEIGHT: 261.70358
SMILES: C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)Cl
Structure:

CAS RN: 43038-37-5
CAS Name: 2-phenoxybenzohydrazide
OPENEYE Name: 2-phenoxybenzohydrazide
IUPAC Name: 2-phenoxybenzohydrazide
SYSTEMATIC NAME: 2-phenoxybenzohydrazide
MOLECULAR FORMULA: C13H12N2O2
MOLECULAR WEIGHT: 228.24658
SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)NN
Structure:

CAS RN: 43034-68-0
CAS Name: iodo-(methylthio)methane
OPENEYE Name: iodo(methylsulfanyl)methane
IUPAC Name: iodo(methylsulfanyl)methane
SYSTEMATIC NAME: iodanyl(methylsulfanyl)methane
MOLECULAR FORMULA: C2H5IS
MOLECULAR WEIGHT: 188.03057
SMILES: CSCI
Structure:

CAS RN: 43022-60-2
CAS Name: 2-methyl-2-(propan-2-yldisulfanyl)propane
OPENEYE Name: 2-(isopropyldisulfanyl)-2-methyl-propane
IUPAC Name: 2-methyl-2-(propan-2-yldisulfanyl)propane
SYSTEMATIC NAME: 2-methyl-2-(propan-2-yldisulfanyl)propane
MOLECULAR FORMULA: C7H16S2
MOLECULAR WEIGHT: 164.33194
SMILES: CC(C)SSC(C)(C)C
Structure:

CAS RN: 43022-36-2
CAS Name: 2,3,5,6-tetramethyl-4-(protiomethyl)benzaldehyde
OPENEYE Name: 2,3,5,6-tetramethyl-4-(protiomethyl)benzaldehyde
IUPAC Name: 2,3,5,6-tetramethyl-4-(protiomethyl)benzaldehyde
SYSTEMATIC NAME: 2,3,5,6-tetramethyl-4-(protiomethyl)benzaldehyde
MOLECULAR FORMULA: C12H16O
MOLECULAR WEIGHT: 176.254725
SMILES: [1H]CC1=C(C(=C(C(=C1C)C)C=O)C)C
Structure:

CAS RN: 43012-17-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H16
MOLECULAR WEIGHT: 304.38384
SMILES: C1=CC2=CC3=C(C=C2)C=C(C=CC4=CC5=C(C=C4)C=C1C=C5)C=C3
Structure:

CAS RN: 43010-05-5
CAS Name: 6-(dipropylamino)-1-hexanol
OPENEYE Name: 6-(dipropylamino)hexan-1-ol
IUPAC Name: 6-(dipropylamino)hexan-1-ol
SYSTEMATIC NAME: 6-(dipropylamino)hexan-1-ol
MOLECULAR FORMULA: C12H27NO
MOLECULAR WEIGHT: 201.34888
SMILES: CCCN(CCC)CCCCCCO
Structure:

CAS RN: 42991-60-6
CAS Name: 1-[(2-methylpropan-2-yl)oxy]-3-propoxy-2-propanol
OPENEYE Name: 1-tert-butoxy-3-propoxy-propan-2-ol
IUPAC Name: 1-[(2-methylpropan-2-yl)oxy]-3-propoxypropan-2-ol
SYSTEMATIC NAME: 1-[(2-methylpropan-2-yl)oxy]-3-propoxy-propan-2-ol
MOLECULAR FORMULA: C10H22O3
MOLECULAR WEIGHT: 190.27988
SMILES: CCCOCC(COC(C)(C)C)O
Structure:

CAS RN: 42973-56-8
CAS Name: 2-(2-hydroxy-3-methoxyphenyl)acetonitrile
OPENEYE Name: 2-(2-hydroxy-3-methoxy-phenyl)acetonitrile
IUPAC Name: 2-(2-hydroxy-3-methoxyphenyl)acetonitrile
SYSTEMATIC NAME: 2-(3-methoxy-2-oxidanyl-phenyl)ethanenitrile
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: COC1=CC=CC(=C1O)CC#N
Structure:

CAS RN: 42949-24-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: C1C2CC3CN(C2)CC1C3=O
Structure:

CAS RN: 42949-22-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H15N
MOLECULAR WEIGHT: 149.2328
SMILES: C=C1C2CC3CC1CN(C3)C2
Structure:

CAS RN: 42948-91-4
CAS Name: 9-bicyclo[4.2.1]non-7-enone
OPENEYE Name: bicyclo[4.2.1]non-7-en-9-one
IUPAC Name: bicyclo[4.2.1]non-7-en-9-one
SYSTEMATIC NAME: bicyclo[4.2.1]non-7-en-9-one
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: C1CCC2C=CC(C1)C2=O
Structure:

CAS RN: 42919-38-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H14
MOLECULAR WEIGHT: 170.25026
SMILES: C1CC2CC(C=C1)C3=CC=CC=C23
Structure:

CAS RN: 42919-37-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H14
MOLECULAR WEIGHT: 170.25026
SMILES: C1C=CCC2CC1C3=CC=CC=C23
Structure:

CAS RN: 42910-66-7
CAS Name: 1-[(2-methylpropan-2-yl)oxy]-3-pentoxy-2-propanol
OPENEYE Name: 1-tert-butoxy-3-pentoxy-propan-2-ol
IUPAC Name: 1-[(2-methylpropan-2-yl)oxy]-3-pentoxypropan-2-ol
SYSTEMATIC NAME: 1-[(2-methylpropan-2-yl)oxy]-3-pentoxy-propan-2-ol
MOLECULAR FORMULA: C12H26O3
MOLECULAR WEIGHT: 218.33304
SMILES: CCCCCOCC(COC(C)(C)C)O
Structure:

CAS RN: 42910-65-6
CAS Name: 1-butoxy-3-[(2-methylpropan-2-yl)oxy]-2-propanol
OPENEYE Name: 1-butoxy-3-tert-butoxy-propan-2-ol
IUPAC Name: 1-butoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SYSTEMATIC NAME: 1-butoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
MOLECULAR FORMULA: C11H24O3
MOLECULAR WEIGHT: 204.30646
SMILES: CCCCOCC(COC(C)(C)C)O
Structure:

CAS RN: 42910-64-5
CAS Name: 1-ethoxy-3-[(2-methylpropan-2-yl)oxy]-2-propanol
OPENEYE Name: 1-tert-butoxy-3-ethoxy-propan-2-ol
IUPAC Name: 1-ethoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SYSTEMATIC NAME: 1-ethoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
MOLECULAR FORMULA: C9H20O3
MOLECULAR WEIGHT: 176.2533
SMILES: CCOCC(COC(C)(C)C)O
Structure:

CAS RN: 42900-28-7
CAS Name: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1-benzothiopyran
OPENEYE Name: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
IUPAC Name: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
SYSTEMATIC NAME: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
MOLECULAR FORMULA: C10H18S
MOLECULAR WEIGHT: 170.31492
SMILES: CC1CCC2CCCCC2S1
Structure:

CAS RN: 42900-29-8
CAS Name: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1-benzothiopyran
OPENEYE Name: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
IUPAC Name: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
SYSTEMATIC NAME: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
MOLECULAR FORMULA: C10H18S
MOLECULAR WEIGHT: 170.31492
SMILES: CC1CCC2CCCCC2S1
Structure:

CAS RN: 42900-30-1
CAS Name: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1-benzothiopyran
OPENEYE Name: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
IUPAC Name: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
SYSTEMATIC NAME: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
MOLECULAR FORMULA: C10H18S
MOLECULAR WEIGHT: 170.31492
SMILES: CC1CCC2CCCCC2S1
Structure:

CAS RN: 83349-26-2
CAS Name: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1-benzothiopyran
OPENEYE Name: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
IUPAC Name: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
SYSTEMATIC NAME: 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
MOLECULAR FORMULA: C10H18S
MOLECULAR WEIGHT: 170.31492
SMILES: CC1CCC2CCCCC2S1
Structure:

CAS RN: 42896-18-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H10O2
MOLECULAR WEIGHT: 210.228
SMILES: C1=CC=C2C3C(C2=C1)OC4=CC=CC=C4O3
Structure:

CAS RN: 42858-85-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16F16
MOLECULAR WEIGHT: 496.145651
SMILES: C12=C(C3=C(C4=C(C5=C1C(C5(F)F)(F)F)C(C4(F)F)(F)F)C(C3(F)F)(F)F)C(C2(F)F)(F)F
Structure:

CAS RN: 42855-50-5
CAS Name: 3-methyl-2,5-dihydrothiophene
OPENEYE Name: 3-methyl-2,5-dihydrothiophene
IUPAC Name: 3-methyl-2,5-dihydrothiophene
SYSTEMATIC NAME: 3-methyl-2,5-dihydrothiophene
MOLECULAR FORMULA: C5H8S
MOLECULAR WEIGHT: 100.18202
SMILES: CC1=CCSC1
Structure:

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