Tuesday, November 27, 2012

http://ChemLookup.com Compounds




CAS RN: 39916-61-5
CAS Name: 2-methylpentylbenzene
OPENEYE Name: 2-methylpentylbenzene
IUPAC Name: 2-methylpentylbenzene
SYSTEMATIC NAME: 2-methylpentylbenzene
MOLECULAR FORMULA: C12H18
MOLECULAR WEIGHT: 162.27132
SMILES: CCCC(C)CC1=CC=CC=C1
Structure:

CAS RN: 39909-74-5
CAS Name: 1,3-dimethyl-5-(sulfinylamino)benzene
OPENEYE Name: 1,3-dimethyl-5-(sulfinylamino)benzene
IUPAC Name: 1,3-dimethyl-5-(sulfinylamino)benzene
SYSTEMATIC NAME: 1,3-dimethyl-5-(sulfinylamino)benzene
MOLECULAR FORMULA: C8H9NOS
MOLECULAR WEIGHT: 167.22816
SMILES: CC1=CC(=CC(=C1)N=S=O)C
Structure:

CAS RN: 39905-44-7
CAS Name: 4-heptoxyaniline
OPENEYE Name: 4-heptoxyaniline
IUPAC Name: 4-heptoxyaniline
SYSTEMATIC NAME: 4-heptoxyaniline
MOLECULAR FORMULA: C13H21NO
MOLECULAR WEIGHT: 207.31194
SMILES: CCCCCCCOC1=CC=C(C=C1)N
Structure:

CAS RN: 39898-48-1
CAS Name: 1,3,5-trimethyl-2-(sulfinylamino)benzene
OPENEYE Name: 1,3,5-trimethyl-2-(sulfinylamino)benzene
IUPAC Name: 1,3,5-trimethyl-2-(sulfinylamino)benzene
SYSTEMATIC NAME: 1,3,5-trimethyl-2-(sulfinylamino)benzene
MOLECULAR FORMULA: C9H11NOS
MOLECULAR WEIGHT: 181.25474
SMILES: CC1=CC(=C(C(=C1)C)N=S=O)C
Structure:

CAS RN: 39863-20-2
CAS Name: 3-bicyclo[2.2.1]hepta-2,5-dienecarbonitrile
OPENEYE Name: bicyclo[2.2.1]hepta-2,5-diene-3-carbonitrile
IUPAC Name: bicyclo[2.2.1]hepta-2,5-diene-3-carbonitrile
SYSTEMATIC NAME: bicyclo[2.2.1]hepta-2,5-diene-3-carbonitrile
MOLECULAR FORMULA: C8H7N
MOLECULAR WEIGHT: 117.14788
SMILES: C1C2C=CC1C(=C2)C#N
Structure:

CAS RN: 39848-57-2
CAS Name: 1-[3,4-dimethoxy-5-(methoxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[3,4-dimethoxy-5-(methoxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H18N2O6
MOLECULAR WEIGHT: 286.28112
SMILES: COCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC)OC
Structure:

CAS RN: 39842-01-8
CAS Name: 1-isothiocyanato-2,4-dimethylbenzene
OPENEYE Name: 1-isothiocyanato-2,4-dimethyl-benzene
IUPAC Name: 1-isothiocyanato-2,4-dimethylbenzene
SYSTEMATIC NAME: 1-isothiocyanato-2,4-dimethyl-benzene
MOLECULAR FORMULA: C9H9NS
MOLECULAR WEIGHT: 163.23946
SMILES: CC1=CC(=C(C=C1)N=C=S)C
Structure:

CAS RN: 71685-97-7
CAS Name: 1-isothiocyanato-2,4-dimethylbenzene
OPENEYE Name: 1-isothiocyanato-2,4-dimethyl-benzene
IUPAC Name: 1-isothiocyanato-2,4-dimethylbenzene
SYSTEMATIC NAME: 1-isothiocyanato-2,4-dimethyl-benzene
MOLECULAR FORMULA: C9H9NS
MOLECULAR WEIGHT: 163.23946
SMILES: CC1=CC(=C(C=C1)N=C=S)C
Structure:

CAS RN: 39835-28-4
CAS Name: 5-nitro-1,2-benzoxazole
OPENEYE Name: 5-nitro-1,2-benzoxazole
IUPAC Name: 5-nitro-1,2-benzoxazole
SYSTEMATIC NAME: 5-nitro-1,2-benzoxazole
MOLECULAR FORMULA: C7H4N2O3
MOLECULAR WEIGHT: 164.11826
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C=NO2
Structure:

CAS RN: 39827-11-7
CAS Name: 1-benzothiophene-2-carbonyl chloride
OPENEYE Name: benzothiophene-2-carbonyl chloride
IUPAC Name: 1-benzothiophene-2-carbonyl chloride
SYSTEMATIC NAME: 1-benzothiophene-2-carbonyl chloride
MOLECULAR FORMULA: C9H5ClOS
MOLECULAR WEIGHT: 196.6534
SMILES: C1=CC=C2C(=C1)C=C(S2)C(=O)Cl
Structure:

CAS RN: 39819-74-4
CAS Name: 3-methoxycyclopentene
OPENEYE Name: 3-methoxycyclopentene
IUPAC Name: 3-methoxycyclopentene
SYSTEMATIC NAME: 3-methoxycyclopentene
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: COC1CCC=C1
Structure:

CAS RN: 39787-00-3
CAS Name: 7,9-dimethyl-8-cyclohepta[b]naphthalenone
OPENEYE Name: 7,9-dimethylcyclohepta[b]naphthalen-8-one
IUPAC Name: 7,9-dimethylcyclohepta[b]naphthalen-8-one
SYSTEMATIC NAME: 7,9-dimethylcyclohepta[b]naphthalen-8-one
MOLECULAR FORMULA: C17H14O
MOLECULAR WEIGHT: 234.29246
SMILES: CC1=CC2=CC3=CC=CC=C3C=C2C=C(C1=O)C
Structure:

CAS RN: 39782-38-2
CAS Name: 1-ethenoxy-3-methylbutane
OPENEYE Name: 3-methyl-1-vinyloxy-butane
IUPAC Name: 1-ethenoxy-3-methylbutane
SYSTEMATIC NAME: 1-ethenoxy-3-methyl-butane
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CC(C)CCOC=C
Structure:

CAS RN: 39781-76-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: C1CC2C1C3C2C=C3
Structure:

CAS RN: 39777-28-1
CAS Name: 1-(4-hexoxyphenyl)-N-(4-octylphenyl)methanimine
OPENEYE Name: 1-(4-hexoxyphenyl)-N-(4-octylphenyl)methanimine
IUPAC Name: 1-(4-hexoxyphenyl)-N-(4-octylphenyl)methanimine
SYSTEMATIC NAME: 1-(4-hexoxyphenyl)-N-(4-octylphenyl)methanimine
MOLECULAR FORMULA: C27H39NO
MOLECULAR WEIGHT: 393.60466
SMILES: CCCCCCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCCCCCC
Structure:

CAS RN: 39777-26-9
CAS Name: 1-(4-butoxyphenyl)-N-(4-octylphenyl)methanimine
OPENEYE Name: 1-(4-butoxyphenyl)-N-(4-octylphenyl)methanimine
IUPAC Name: 1-(4-butoxyphenyl)-N-(4-octylphenyl)methanimine
SYSTEMATIC NAME: 1-(4-butoxyphenyl)-N-(4-octylphenyl)methanimine
MOLECULAR FORMULA: C25H35NO
MOLECULAR WEIGHT: 365.5515
SMILES: CCCCCCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCCCC
Structure:

CAS RN: 7239-17-0
CAS Name: 1-(4-butoxyphenyl)-N-(4-octylphenyl)methanimine
OPENEYE Name: 1-(4-butoxyphenyl)-N-(4-octylphenyl)methanimine
IUPAC Name: 1-(4-butoxyphenyl)-N-(4-octylphenyl)methanimine
SYSTEMATIC NAME: 1-(4-butoxyphenyl)-N-(4-octylphenyl)methanimine
MOLECULAR FORMULA: C25H35NO
MOLECULAR WEIGHT: 365.5515
SMILES: CCCCCCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCCCC
Structure:

CAS RN: 39777-22-5
CAS Name: 1-(4-heptoxyphenyl)-N-(4-heptylphenyl)methanimine
OPENEYE Name: 1-(4-heptoxyphenyl)-N-(4-heptylphenyl)methanimine
IUPAC Name: 1-(4-heptoxyphenyl)-N-(4-heptylphenyl)methanimine
SYSTEMATIC NAME: 1-(4-heptoxyphenyl)-N-(4-heptylphenyl)methanimine
MOLECULAR FORMULA: C27H39NO
MOLECULAR WEIGHT: 393.60466
SMILES: CCCCCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCCCCCCC
Structure:

CAS RN: 39777-20-3
CAS Name: N-(4-heptylphenyl)-1-(4-pentoxyphenyl)methanimine
OPENEYE Name: N-(4-heptylphenyl)-1-(4-pentoxyphenyl)methanimine
IUPAC Name: N-(4-heptylphenyl)-1-(4-pentoxyphenyl)methanimine
SYSTEMATIC NAME: N-(4-heptylphenyl)-1-(4-pentoxyphenyl)methanimine
MOLECULAR FORMULA: C25H35NO
MOLECULAR WEIGHT: 365.5515
SMILES: CCCCCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCCCCC
Structure:

CAS RN: 39777-19-0
CAS Name: 1-(4-butoxyphenyl)-N-(4-heptylphenyl)methanimine
OPENEYE Name: 1-(4-butoxyphenyl)-N-(4-heptylphenyl)methanimine
IUPAC Name: 1-(4-butoxyphenyl)-N-(4-heptylphenyl)methanimine
SYSTEMATIC NAME: 1-(4-butoxyphenyl)-N-(4-heptylphenyl)methanimine
MOLECULAR FORMULA: C24H33NO
MOLECULAR WEIGHT: 351.52492
SMILES: CCCCCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCCCC
Structure:

CAS RN: 39777-17-8
CAS Name: 1-(4-ethoxyphenyl)-N-(4-heptylphenyl)methanimine
OPENEYE Name: 1-(4-ethoxyphenyl)-N-(4-heptylphenyl)methanimine
IUPAC Name: 1-(4-ethoxyphenyl)-N-(4-heptylphenyl)methanimine
SYSTEMATIC NAME: 1-(4-ethoxyphenyl)-N-(4-heptylphenyl)methanimine
MOLECULAR FORMULA: C22H29NO
MOLECULAR WEIGHT: 323.47176
SMILES: CCCCCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCC
Structure:

CAS RN: 39777-13-4
CAS Name: N-(4-hexylphenyl)-1-(4-pentoxyphenyl)methanimine
OPENEYE Name: N-(4-hexylphenyl)-1-(4-pentoxyphenyl)methanimine
IUPAC Name: N-(4-hexylphenyl)-1-(4-pentoxyphenyl)methanimine
SYSTEMATIC NAME: N-(4-hexylphenyl)-1-(4-pentoxyphenyl)methanimine
MOLECULAR FORMULA: C24H33NO
MOLECULAR WEIGHT: 351.52492
SMILES: CCCCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCCCCC
Structure:

CAS RN: 39777-12-3
CAS Name: 1-(4-butoxyphenyl)-N-(4-hexylphenyl)methanimine
OPENEYE Name: 1-(4-butoxyphenyl)-N-(4-hexylphenyl)methanimine
IUPAC Name: 1-(4-butoxyphenyl)-N-(4-hexylphenyl)methanimine
SYSTEMATIC NAME: 1-(4-butoxyphenyl)-N-(4-hexylphenyl)methanimine
MOLECULAR FORMULA: C23H31NO
MOLECULAR WEIGHT: 337.49834
SMILES: CCCCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCCCC
Structure:

CAS RN: 39768-04-2
CAS Name: 2-phenylphosphinoline
OPENEYE Name: 2-phenylphosphinoline
IUPAC Name: 2-phenylphosphinoline
SYSTEMATIC NAME: 2-phenylphosphinoline
MOLECULAR FORMULA: C15H11P
MOLECULAR WEIGHT: 222.221601
SMILES: C1=CC=C(C=C1)C2=PC3=CC=CC=C3C=C2
Structure:

CAS RN: 39767-95-8
CAS Name: 2-phenyl-1,1-bis(phenylmethyl)phosphinoline
OPENEYE Name: 1,1-dibenzyl-2-phenyl-phosphinoline
IUPAC Name: 1,1-dibenzyl-2-phenylphosphinoline
SYSTEMATIC NAME: 2-phenyl-1,1-bis(phenylmethyl)phosphinoline
MOLECULAR FORMULA: C29H25P
MOLECULAR WEIGHT: 404.482561
SMILES: C1=CC=C(C=C1)CP2(=C3C=CC=CC3=CC=C2C4=CC=CC=C4)CC5=CC=CC=C5
Structure:

CAS RN: 39751-07-0
CAS Name: adamantane-2,6-dione
OPENEYE Name: adamantane-2,6-dione
IUPAC Name: adamantane-2,6-dione
SYSTEMATIC NAME: adamantane-2,6-dione
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: C1C2CC3CC(C2=O)CC1C3=O
Structure:

CAS RN: 39697-33-1
CAS Name: 2-selenophenecarboxylic acid methyl ester
OPENEYE Name: methyl selenophene-2-carboxylate
IUPAC Name: methyl selenophene-2-carboxylate
SYSTEMATIC NAME: methyl selenophene-2-carboxylate
MOLECULAR FORMULA: C6H6O2Se
MOLECULAR WEIGHT: 189.07064
SMILES: COC(=O)C1=CC=C[Se]1
Structure:

CAS RN: 39652-40-9
CAS Name: N,N-bis(dichlorophosphino)aniline
OPENEYE Name: N,N-bis(dichlorophosphanyl)aniline
IUPAC Name: N,N-bis(dichlorophosphanyl)aniline
SYSTEMATIC NAME: N,N-bis[bis(chloranyl)phosphanyl]aniline
MOLECULAR FORMULA: C6H5Cl4NP2
MOLECULAR WEIGHT: 294.870122
SMILES: C1=CC=C(C=C1)N(P(Cl)Cl)P(Cl)Cl
Structure:

CAS RN: 39629-27-1
CAS Name: 3-ethyl-1,4-diphenyl-2-azetidinone
OPENEYE Name: 3-ethyl-1,4-diphenyl-azetidin-2-one
IUPAC Name: 3-ethyl-1,4-diphenylazetidin-2-one
SYSTEMATIC NAME: 3-ethyl-1,4-diphenyl-azetidin-2-one
MOLECULAR FORMULA: C17H17NO
MOLECULAR WEIGHT: 251.32298
SMILES: CCC1C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 39622-53-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H12O5
MOLECULAR WEIGHT: 224.20998
SMILES: COC(=O)C1=CC2C(O2)C3C1(C3)C(=O)OC
Structure:

CAS RN: 39594-91-7
CAS Name: thiohypochlorous acid mercapto ester
OPENEYE Name: sulfanyl thiohypochlorite
IUPAC Name: sulfanyl thiohypochlorite
SYSTEMATIC NAME: sulfanyl thiohypochlorite
MOLECULAR FORMULA: ClHS2
MOLECULAR WEIGHT: 100.59094
SMILES: SSCl
Structure:

CAS RN: 39590-27-7
CAS Name: 2-(2-ethoxyphenyl)ethanamine
OPENEYE Name: 2-(2-ethoxyphenyl)ethanamine
IUPAC Name: 2-(2-ethoxyphenyl)ethanamine
SYSTEMATIC NAME: 2-(2-ethoxyphenyl)ethanamine
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CCOC1=CC=CC=C1CCN
Structure:

CAS RN: 39574-16-8
CAS Name: 2-isothiocyanatopropanoic acid ethyl ester
OPENEYE Name: ethyl 2-isothiocyanatopropanoate
IUPAC Name: ethyl 2-isothiocyanatopropanoate
SYSTEMATIC NAME: ethyl 2-isothiocyanatopropanoate
MOLECULAR FORMULA: C6H9NO2S
MOLECULAR WEIGHT: 159.20616
SMILES: CCOC(=O)C(C)N=C=S
Structure:

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