Saturday, December 1, 2012

http://ChemLookup.com Compounds




CAS RN: 16906-27-7
CAS Name: 1-ethenyl-1-methylcyclopropane
OPENEYE Name: 1-methyl-1-vinyl-cyclopropane
IUPAC Name: 1-ethenyl-1-methylcyclopropane
SYSTEMATIC NAME: 1-ethenyl-1-methyl-cyclopropane
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CC1(CC1)C=C
Structure:

CAS RN: 16855-95-1
CAS Name: 4-methyl-4H-pyran
OPENEYE Name: 4-methyl-4H-pyran
IUPAC Name: 4-methyl-4H-pyran
SYSTEMATIC NAME: 4-methyl-4H-pyran
MOLECULAR FORMULA: C6H8O
MOLECULAR WEIGHT: 96.12712
SMILES: CC1C=COC=C1
Structure:

CAS RN: 16851-82-4
CAS Name: 1-(benzenesulfonyl)pyrrole
OPENEYE Name: 1-(benzenesulfonyl)pyrrole
IUPAC Name: 1-(benzenesulfonyl)pyrrole
SYSTEMATIC NAME: 1-(phenylsulfonyl)pyrrole
MOLECULAR FORMULA: C10H9NO2S
MOLECULAR WEIGHT: 207.24896
SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2
Structure:

CAS RN: 16844-07-8
CAS Name: 3,4-dimethyloxolane-2,5-dione
OPENEYE Name: 3,4-dimethyltetrahydrofuran-2,5-dione
IUPAC Name: 3,4-dimethyloxolane-2,5-dione
SYSTEMATIC NAME: 3,4-dimethyloxolane-2,5-dione
MOLECULAR FORMULA: C6H8O3
MOLECULAR WEIGHT: 128.12592
SMILES: CC1C(C(=O)OC1=O)C
Structure:

CAS RN: 35392-94-0
CAS Name: 3,4-dimethyloxolane-2,5-dione
OPENEYE Name: 3,4-dimethyltetrahydrofuran-2,5-dione
IUPAC Name: 3,4-dimethyloxolane-2,5-dione
SYSTEMATIC NAME: 3,4-dimethyloxolane-2,5-dione
MOLECULAR FORMULA: C6H8O3
MOLECULAR WEIGHT: 128.12592
SMILES: CC1C(C(=O)OC1=O)C
Structure:

CAS RN: 7475-92-5
CAS Name: 3,4-dimethyloxolane-2,5-dione
OPENEYE Name: 3,4-dimethyltetrahydrofuran-2,5-dione
IUPAC Name: 3,4-dimethyloxolane-2,5-dione
SYSTEMATIC NAME: 3,4-dimethyloxolane-2,5-dione
MOLECULAR FORMULA: C6H8O3
MOLECULAR WEIGHT: 128.12592
SMILES: CC1C(C(=O)OC1=O)C
Structure:

CAS RN: 16841-51-3
CAS Name: 3,4-dihydro-2H-thiopyran 1,1-dioxide
OPENEYE Name: 3,4-dihydro-2H-thiopyran 1,1-dioxide
IUPAC Name: 3,4-dihydro-2H-thiopyran 1,1-dioxide
SYSTEMATIC NAME: 3,4-dihydro-2H-thiopyran 1,1-dioxide
MOLECULAR FORMULA: C5H8O2S
MOLECULAR WEIGHT: 132.18082
SMILES: C1CC=CS(=O)(=O)C1
Structure:

CAS RN: 16841-46-6
CAS Name: 3,6-dihydro-2H-thiopyran 1,1-dioxide
OPENEYE Name: 3,6-dihydro-2H-thiopyran 1,1-dioxide
IUPAC Name: 3,6-dihydro-2H-thiopyran 1,1-dioxide
SYSTEMATIC NAME: 3,6-dihydro-2H-thiopyran 1,1-dioxide
MOLECULAR FORMULA: C5H8O2S
MOLECULAR WEIGHT: 132.18082
SMILES: C1CS(=O)(=O)CC=C1
Structure:

CAS RN: 16831-48-4
CAS Name: 4,4-dimethoxycyclohexene
OPENEYE Name: 4,4-dimethoxycyclohexene
IUPAC Name: 4,4-dimethoxycyclohexene
SYSTEMATIC NAME: 4,4-dimethoxycyclohexene
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: COC1(CCC=CC1)OC
Structure:

CAS RN: 16804-70-9
CAS Name: propan-2-ylbenzene
OPENEYE Name: 1-methylethylbenzene
IUPAC Name: propan-2-ylbenzene
SYSTEMATIC NAME: propan-2-ylbenzene
MOLECULAR FORMULA: C9H11
MOLECULAR WEIGHT: 119.18364
SMILES: C[C](C)C1=CC=CC=C1
Structure:

CAS RN: 16799-05-6
CAS Name: 1-(2-bromoethyl)-3-chlorobenzene
OPENEYE Name: 1-(2-bromoethyl)-3-chloro-benzene
IUPAC Name: 1-(2-bromoethyl)-3-chlorobenzene
SYSTEMATIC NAME: 1-(2-bromoethyl)-3-chloranyl-benzene
MOLECULAR FORMULA: C8H8BrCl
MOLECULAR WEIGHT: 219.50612
SMILES: C1=CC(=CC(=C1)Cl)CCBr
Structure:

CAS RN: 16794-68-6
CAS Name: isothiocyanato-(4-methylphenyl)methanone
OPENEYE Name: 4-methylbenzoyl isothiocyanate
IUPAC Name: 4-methylbenzoyl isothiocyanate
SYSTEMATIC NAME: isothiocyanato-(4-methylphenyl)methanone
MOLECULAR FORMULA: C9H7NOS
MOLECULAR WEIGHT: 177.22298
SMILES: CC1=CC=C(C=C1)C(=O)N=C=S
Structure:

CAS RN: 16789-51-8
CAS Name: 3-ethyl-3-hexene
OPENEYE Name: 3-ethylhex-3-ene
IUPAC Name: 3-ethylhex-3-ene
SYSTEMATIC NAME: 3-ethylhex-3-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CCC=C(CC)CC
Structure:

CAS RN: 16780-62-4
CAS Name: 1,3-dihydro-1,4-benzodiazepin-2-one
OPENEYE Name: 1,3-dihydro-1,4-benzodiazepin-2-one
IUPAC Name: 1,3-dihydro-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 1,3-dihydro-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: C1C(=O)NC2=CC=CC=C2C=N1
Structure:

CAS RN: 16778-84-0
CAS Name: isothiocyanato-(4-methoxyphenyl)methanone
OPENEYE Name: 4-methoxybenzoyl isothiocyanate
IUPAC Name: 4-methoxybenzoyl isothiocyanate
SYSTEMATIC NAME: isothiocyanato-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C9H7NO2S
MOLECULAR WEIGHT: 193.22238
SMILES: COC1=CC=C(C=C1)C(=O)N=C=S
Structure:

CAS RN: 16777-87-0
CAS Name: 3,3-diethoxy-1-propanol
OPENEYE Name: 3,3-diethoxypropan-1-ol
IUPAC Name: 3,3-diethoxypropan-1-ol
SYSTEMATIC NAME: 3,3-diethoxypropan-1-ol
MOLECULAR FORMULA: C7H16O3
MOLECULAR WEIGHT: 148.20014
SMILES: CCOC(CCO)OCC
Structure:

CAS RN: 16745-94-1
CAS Name: 3,4-dimethyl-1-hexene
OPENEYE Name: 3,4-dimethylhex-1-ene
IUPAC Name: 3,4-dimethylhex-1-ene
SYSTEMATIC NAME: 3,4-dimethylhex-1-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CCC(C)C(C)C=C
Structure:

CAS RN: 16744-89-1
CAS Name: 2-methyl-5-hexen-2-ol
OPENEYE Name: 2-methylhex-5-en-2-ol
IUPAC Name: 2-methylhex-5-en-2-ol
SYSTEMATIC NAME: 2-methylhex-5-en-2-ol
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CC(C)(CCC=C)O
Structure:

CAS RN: 16735-69-6
CAS Name: 1-(isothiocyanatomethyl)-2-methylbenzene
OPENEYE Name: 1-(isothiocyanatomethyl)-2-methyl-benzene
IUPAC Name: 1-(isothiocyanatomethyl)-2-methylbenzene
SYSTEMATIC NAME: 1-(isothiocyanatomethyl)-2-methyl-benzene
MOLECULAR FORMULA: C9H9NS
MOLECULAR WEIGHT: 163.23946
SMILES: CC1=CC=CC=C1CN=C=S
Structure:

CAS RN: 16732-84-6
CAS Name: (9S,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: (9S,14S)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: (9S,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (9S,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C27H46
MOLECULAR WEIGHT: 370.65414
SMILES: C[C@H](CCCC(C)C)C1CC[C@@H]2C1(CC[C@H]3C2CCC4C3(CCC=C4)C)C
Structure:

CAS RN: 16726-19-5
CAS Name: 1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroacridine
OPENEYE Name: 1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroacridine
IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroacridine
SYSTEMATIC NAME: 1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroacridine
MOLECULAR FORMULA: C13H23N
MOLECULAR WEIGHT: 193.32842
SMILES: C1CCC2C(C1)CC3CCCCC3N2
Structure:

CAS RN: 24526-17-8
CAS Name: 1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroacridine
OPENEYE Name: 1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroacridine
IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroacridine
SYSTEMATIC NAME: 1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroacridine
MOLECULAR FORMULA: C13H23N
MOLECULAR WEIGHT: 193.32842
SMILES: C1CCC2C(C1)CC3CCCCC3N2
Structure:

CAS RN: 16723-89-0
CAS Name: 1,1,5,5-tetramethylcyclodecane
OPENEYE Name: 1,1,5,5-tetramethylcyclodecane
IUPAC Name: 1,1,5,5-tetramethylcyclodecane
SYSTEMATIC NAME: 1,1,5,5-tetramethylcyclodecane
MOLECULAR FORMULA: C14H28
MOLECULAR WEIGHT: 196.37212
SMILES: CC1(CCCCCC(CCC1)(C)C)C
Structure:

CAS RN: 16722-09-1
CAS Name: trimethyl(2-oxiranyl)silane
OPENEYE Name: trimethyl(oxiran-2-yl)silane
IUPAC Name: trimethyl(oxiran-2-yl)silane
SYSTEMATIC NAME: trimethyl(oxiran-2-yl)silane
MOLECULAR FORMULA: C5H12OSi
MOLECULAR WEIGHT: 116.23368
SMILES: C[Si](C)(C)C1CO1
Structure:

CAS RN: 16721-45-2
CAS Name: triphenyl-(phenylmethylene)phosphorane
OPENEYE Name: benzylidene(triphenyl)-$l^{5}-phosphane
IUPAC Name: benzylidene(triphenyl)-$l^{5}-phosphane
SYSTEMATIC NAME: triphenyl-(phenylmethylidene)-$l^{5}-phosphane
MOLECULAR FORMULA: C25H21P
MOLECULAR WEIGHT: 352.408001
SMILES: C1=CC=C(C=C1)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:

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