Monday, November 26, 2012

http://ChemLookup.com Compounds




CAS RN: 58386-20-2
CAS Name: 2,5-dimethoxythiophene
OPENEYE Name: 2,5-dimethoxythiophene
IUPAC Name: 2,5-dimethoxythiophene
SYSTEMATIC NAME: 2,5-dimethoxythiophene
MOLECULAR FORMULA: C6H8O2S
MOLECULAR WEIGHT: 144.19152
SMILES: COC1=CC=C(S1)OC
Structure:

CAS RN: 58324-80-4
CAS Name: 4-(phenylmethylthio)benzoic acid ethyl ester
OPENEYE Name: ethyl 4-benzylsulfanylbenzoate
IUPAC Name: ethyl 4-benzylsulfanylbenzoate
SYSTEMATIC NAME: ethyl 4-(phenylmethylsulfanyl)benzoate
MOLECULAR FORMULA: C16H16O2S
MOLECULAR WEIGHT: 272.36204
SMILES: CCOC(=O)C1=CC=C(C=C1)SCC2=CC=CC=C2
Structure:

CAS RN: 58313-23-8
CAS Name: 3-iodobenzoic acid ethyl ester
OPENEYE Name: ethyl 3-iodobenzoate
IUPAC Name: ethyl 3-iodobenzoate
SYSTEMATIC NAME: ethyl 3-iodanylbenzoate
MOLECULAR FORMULA: C9H9IO2
MOLECULAR WEIGHT: 276.07103
SMILES: CCOC(=O)C1=CC(=CC=C1)I
Structure:

CAS RN: 58287-34-6
CAS Name: 2,3-bis(1-methylcyclopropyl)-1-cycloprop-2-enone
OPENEYE Name: 2,3-bis(1-methylcyclopropyl)cycloprop-2-en-1-one
IUPAC Name: 2,3-bis(1-methylcyclopropyl)cycloprop-2-en-1-one
SYSTEMATIC NAME: 2,3-bis(1-methylcyclopropyl)cycloprop-2-en-1-one
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: CC1(CC1)C2=C(C2=O)C3(CC3)C
Structure:

CAS RN: 58279-48-4
CAS Name: N2,N3-di(propan-2-yl)butane-2,3-diimine
OPENEYE Name: N2,N3-diisopropylbutane-2,3-diimine
IUPAC Name: 2-N,3-N-di(propan-2-yl)butane-2,3-diimine
SYSTEMATIC NAME: N2,N3-di(propan-2-yl)butane-2,3-diimine
MOLECULAR FORMULA: C10H20N2
MOLECULAR WEIGHT: 168.2792
SMILES: CC(C)N=C(C)C(=NC(C)C)C
Structure:

CAS RN: 58208-49-4
CAS Name: bicyclo[1.1.0]but-1(3)-ene
OPENEYE Name: bicyclo[1.1.0]but-1(3)-ene
IUPAC Name: bicyclo[1.1.0]but-1(3)-ene
SYSTEMATIC NAME: bicyclo[1.1.0]but-1(3)-ene
MOLECULAR FORMULA: C4H4
MOLECULAR WEIGHT: 52.07456
SMILES: C1C2=C1C2
Structure:

CAS RN: 58196-47-7
CAS Name: 3-(cyclopropylamino)propanenitrile
OPENEYE Name: 3-(cyclopropylamino)propanenitrile
IUPAC Name: 3-(cyclopropylamino)propanenitrile
SYSTEMATIC NAME: 3-(cyclopropylamino)propanenitrile
MOLECULAR FORMULA: C6H10N2
MOLECULAR WEIGHT: 110.157
SMILES: C1CC1NCCC#N
Structure:

CAS RN: 58139-11-0
CAS Name: (2-fluorophenyl)-(3-fluorophenyl)methanone
OPENEYE Name: (2-fluorophenyl)-(3-fluorophenyl)methanone
IUPAC Name: (2-fluorophenyl)-(3-fluorophenyl)methanone
SYSTEMATIC NAME: (2-fluorophenyl)-(3-fluorophenyl)methanone
MOLECULAR FORMULA: C13H8F2O
MOLECULAR WEIGHT: 218.198826
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC(=CC=C2)F)F
Structure:

CAS RN: 58090-79-2
CAS Name: (1-iodo-2,3-diphenyl-1-cycloprop-2-enyl)benzene
OPENEYE Name: (1-iodo-2,3-diphenyl-cycloprop-2-en-1-yl)benzene
IUPAC Name: (1-iodo-2,3-diphenylcycloprop-2-en-1-yl)benzene
SYSTEMATIC NAME: (1-iodanyl-2,3-diphenyl-cycloprop-2-en-1-yl)benzene
MOLECULAR FORMULA: C21H15I
MOLECULAR WEIGHT: 394.24827
SMILES: C1=CC=C(C=C1)C2=C(C2(C3=CC=CC=C3)I)C4=CC=CC=C4
Structure:

CAS RN: 58090-78-1
CAS Name: (1-chloro-2,3-diphenyl-1-cycloprop-2-enyl)benzene
OPENEYE Name: (1-chloro-2,3-diphenyl-cycloprop-2-en-1-yl)benzene
IUPAC Name: (1-chloro-2,3-diphenylcycloprop-2-en-1-yl)benzene
SYSTEMATIC NAME: (1-chloranyl-2,3-diphenyl-cycloprop-2-en-1-yl)benzene
MOLECULAR FORMULA: C21H15Cl
MOLECULAR WEIGHT: 302.7968
SMILES: C1=CC=C(C=C1)C2=C(C2(C3=CC=CC=C3)Cl)C4=CC=CC=C4
Structure:

CAS RN: 58012-66-1
CAS Name: 3-(4-oxocyclohexyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 3-(4-oxocyclohexyl)propanoate
IUPAC Name: ethyl 3-(4-oxocyclohexyl)propanoate
SYSTEMATIC NAME: ethyl 3-(4-oxidanylidenecyclohexyl)propanoate
MOLECULAR FORMULA: C11H18O3
MOLECULAR WEIGHT: 198.25882
SMILES: CCOC(=O)CCC1CCC(=O)CC1
Structure:

CAS RN: 58002-98-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H18
MOLECULAR WEIGHT: 234.33552
SMILES: C1CC2=CC3=C(CCC4=C(CC3)C=C1C=C4)C=C2
Structure:

CAS RN: 57989-34-1
CAS Name: 1-(1-oxopentyl)-3H-indol-2-one
OPENEYE Name: 1-pentanoylindolin-2-one
IUPAC Name: 1-pentanoyl-3H-indol-2-one
SYSTEMATIC NAME: 1-pentanoyl-3H-indol-2-one
MOLECULAR FORMULA: C13H15NO2
MOLECULAR WEIGHT: 217.2637
SMILES: CCCCC(=O)N1C(=O)CC2=CC=CC=C21
Structure:

CAS RN: 57984-32-4
CAS Name: 4,5-dipropyl-4-octene
OPENEYE Name: 4,5-dipropyloct-4-ene
IUPAC Name: 4,5-dipropyloct-4-ene
SYSTEMATIC NAME: 4,5-dipropyloct-4-ene
MOLECULAR FORMULA: C14H28
MOLECULAR WEIGHT: 196.37212
SMILES: CCCC(=C(CCC)CCC)CCC
Structure:

CAS RN: 57878-93-0
CAS Name: 2-chloro-1-isothiocyanato-4-methylbenzene
OPENEYE Name: 2-chloro-1-isothiocyanato-4-methyl-benzene
IUPAC Name: 2-chloro-1-isothiocyanato-4-methylbenzene
SYSTEMATIC NAME: 2-chloranyl-1-isothiocyanato-4-methyl-benzene
MOLECULAR FORMULA: C8H6ClNS
MOLECULAR WEIGHT: 183.65794
SMILES: CC1=CC(=C(C=C1)N=C=S)Cl
Structure:

CAS RN: 57877-90-4
CAS Name: 2,3,5-trimethyl-1,4,2,3,5-oxathiazadiborolidine
OPENEYE Name: 2,3,5-trimethyl-1,4,2,3,5-oxathiazadiborolidine
IUPAC Name: 2,3,5-trimethyl-1,4,2,3,5-oxathiazadiborolidine
SYSTEMATIC NAME: 2,3,5-trimethyl-1,4,2,3,5-oxathiazadiborolidine
MOLECULAR FORMULA: C3H9B2NOS
MOLECULAR WEIGHT: 128.79666
SMILES: B1(N(OB(S1)C)C)C
Structure:

CAS RN: 57877-89-1
CAS Name: 2,3,4,5-tetramethyl-1,2,4,3,5-oxadiazadiborolidine
OPENEYE Name: 2,3,4,5-tetramethyl-1,2,4,3,5-oxadiazadiborolidine
IUPAC Name: 2,3,4,5-tetramethyl-1,2,4,3,5-oxadiazadiborolidine
SYSTEMATIC NAME: 2,3,4,5-tetramethyl-1,2,4,3,5-oxadiazadiborolidine
MOLECULAR FORMULA: C4H12B2N2O
MOLECULAR WEIGHT: 125.77288
SMILES: B1(N(B(ON1C)C)C)C
Structure:

CAS RN: 57877-88-0
CAS Name: 3,4,5-trimethyl-1,2,4,3,5-dithiazadiborolidine
OPENEYE Name: 3,4,5-trimethyl-1,2,4,3,5-dithiazadiborolidine
IUPAC Name: 3,4,5-trimethyl-1,2,4,3,5-dithiazadiborolidine
SYSTEMATIC NAME: 3,4,5-trimethyl-1,2,4,3,5-dithiazadiborolidine
MOLECULAR FORMULA: C3H9B2NS2
MOLECULAR WEIGHT: 144.86226
SMILES: B1(N(B(SS1)C)C)C
Structure:

CAS RN: 57877-87-9
CAS Name: 3,5-dimethyl-1,2,4,3,5-dithiazadiborolidine
OPENEYE Name: 3,5-dimethyl-1,2,4,3,5-dithiazadiborolidine
IUPAC Name: 3,5-dimethyl-1,2,4,3,5-dithiazadiborolidine
SYSTEMATIC NAME: 3,5-dimethyl-1,2,4,3,5-dithiazadiborolidine
MOLECULAR FORMULA: C2H7B2NS2
MOLECULAR WEIGHT: 130.83568
SMILES: B1(NB(SS1)C)C
Structure:

CAS RN: 57877-86-8
CAS Name: (2,5-dimethyl-1,3,4,2,5-thiadiazadiborolidin-3-yl)-trimethylsilane
OPENEYE Name: (2,5-dimethyl-1,3,4,2,5-thiadiazadiborolidin-3-yl)-trimethyl-silane
IUPAC Name: (2,5-dimethyl-1,3,4,2,5-thiadiazadiborolidin-3-yl)-trimethylsilane
SYSTEMATIC NAME: (2,5-dimethyl-1,3,4,2,5-thiadiazadiborolidin-3-yl)-trimethyl-silane
MOLECULAR FORMULA: C5H16B2N2SSi
MOLECULAR WEIGHT: 185.96644
SMILES: B1(NN(B(S1)C)[Si](C)(C)C)C
Structure:

CAS RN: 57877-85-7
CAS Name: 2,3,5-trimethyl-1,2,4,3,5-thiadiazadiborolidine
OPENEYE Name: 2,3,5-trimethyl-1,2,4,3,5-thiadiazadiborolidine
IUPAC Name: 2,3,5-trimethyl-1,2,4,3,5-thiadiazadiborolidine
SYSTEMATIC NAME: 2,3,5-trimethyl-1,2,4,3,5-thiadiazadiborolidine
MOLECULAR FORMULA: C3H10B2N2S
MOLECULAR WEIGHT: 127.8119
SMILES: B1(NB(SN1C)C)C
Structure:

CAS RN: 57877-84-6
CAS Name: dimethyl-(1,2,3,5-tetramethyl-1,2,4,3,5-triazadiborolidin-4-yl)arsine
OPENEYE Name: dimethyl-(1,2,3,5-tetramethyl-1,2,4,3,5-triazadiborolidin-4-yl)arsane
IUPAC Name: dimethyl-(1,2,3,5-tetramethyl-1,2,4,3,5-triazadiborolidin-4-yl)arsane
SYSTEMATIC NAME: dimethyl-(1,2,3,5-tetramethyl-1,2,4,3,5-triazadiborolidin-4-yl)arsane
MOLECULAR FORMULA: C6H18AsB2N3
MOLECULAR WEIGHT: 228.77082
SMILES: B1(N(B(N(N1C)C)C)[As](C)C)C
Structure:

CAS RN: 57877-83-5
CAS Name: 4-tert-butyl-1,2,3,5-tetramethyl-1,2,4,3,5-triazadiborolidine
OPENEYE Name: 4-tert-butyl-1,2,3,5-tetramethyl-1,2,4,3,5-triazadiborolidine
IUPAC Name: 4-tert-butyl-1,2,3,5-tetramethyl-1,2,4,3,5-triazadiborolidine
SYSTEMATIC NAME: 4-tert-butyl-1,2,3,5-tetramethyl-1,2,4,3,5-triazadiborolidine
MOLECULAR FORMULA: C8H21B2N3
MOLECULAR WEIGHT: 180.89444
SMILES: B1(N(B(N(N1C)C)C)C(C)(C)C)C
Structure:

CAS RN: 57864-56-9
CAS Name: 2,2-diphenyl-1,3,2-dithiasilolane
OPENEYE Name: 2,2-diphenyl-1,3,2-dithiasilolane
IUPAC Name: 2,2-diphenyl-1,3,2-dithiasilolane
SYSTEMATIC NAME: 2,2-diphenyl-1,3,2-dithiasilolane
MOLECULAR FORMULA: C14H14S2Si
MOLECULAR WEIGHT: 274.47646
SMILES: C1CS[Si](S1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 57857-78-0
CAS Name: N,N-bis(diphenoxyphosphino)methanamine
OPENEYE Name: N,N-bis(diphenoxyphosphanyl)methanamine
IUPAC Name: N,N-bis(diphenoxyphosphanyl)methanamine
SYSTEMATIC NAME: N,N-bis(diphenoxyphosphanyl)methanamine
MOLECULAR FORMULA: C25H23NO4P2
MOLECULAR WEIGHT: 463.401942
SMILES: CN(P(OC1=CC=CC=C1)OC2=CC=CC=C2)P(OC3=CC=CC=C3)OC4=CC=CC=C4
Structure:

CAS RN: 57856-10-7
CAS Name: 3,3-dichloro-2-pentanone
OPENEYE Name: 3,3-dichloropentan-2-one
IUPAC Name: 3,3-dichloropentan-2-one
SYSTEMATIC NAME: 3,3-bis(chloranyl)pentan-2-one
MOLECULAR FORMULA: C5H8Cl2O
MOLECULAR WEIGHT: 155.02242
SMILES: CCC(C(=O)C)(Cl)Cl
Structure:

CAS RN: 57848-46-1
CAS Name: 4-bromo-2-fluorobenzaldehyde
OPENEYE Name: 4-bromo-2-fluoro-benzaldehyde
IUPAC Name: 4-bromo-2-fluorobenzaldehyde
SYSTEMATIC NAME: 4-bromanyl-2-fluoranyl-benzaldehyde
MOLECULAR FORMULA: C7H4BrFO
MOLECULAR WEIGHT: 203.008463
SMILES: C1=CC(=C(C=C1Br)F)C=O
Structure:

CAS RN: 57839-84-6
CAS Name: 1-methyl-6-methyleneazecane
OPENEYE Name: 1-methyl-6-methylene-azecane
IUPAC Name: 1-methyl-6-methylideneazecane
SYSTEMATIC NAME: 1-methyl-6-methylidene-azecane
MOLECULAR FORMULA: C11H21N
MOLECULAR WEIGHT: 167.29114
SMILES: CN1CCCCC(=C)CCCC1
Structure:

CAS RN: 57807-44-0
CAS Name: 2-[4-(2-tert-butyldioxypropan-2-yl)phenyl]-2-propanol
OPENEYE Name: 2-[4-(1-tert-butylperoxy-1-methyl-ethyl)phenyl]propan-2-ol
IUPAC Name: 2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-ol
SYSTEMATIC NAME: 2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-ol
MOLECULAR FORMULA: C16H26O3
MOLECULAR WEIGHT: 266.37584
SMILES: CC(C)(C)OOC(C)(C)C1=CC=C(C=C1)C(C)(C)O
Structure:

CAS RN: 57744-40-8
CAS Name: bicyclo[3.2.2]nonane-2,3,4-trione
OPENEYE Name: bicyclo[3.2.2]nonane-2,3,4-trione
IUPAC Name: bicyclo[3.2.2]nonane-2,3,4-trione
SYSTEMATIC NAME: bicyclo[3.2.2]nonane-2,3,4-trione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: C1CC2CCC1C(=O)C(=O)C2=O
Structure:

CAS RN: 57744-39-5
CAS Name: 4,4,6,6-tetramethylcyclohexane-1,2,3-trione
OPENEYE Name: 4,4,6,6-tetramethylcyclohexane-1,2,3-trione
IUPAC Name: 4,4,6,6-tetramethylcyclohexane-1,2,3-trione
SYSTEMATIC NAME: 4,4,6,6-tetramethylcyclohexane-1,2,3-trione
MOLECULAR FORMULA: C10H14O3
MOLECULAR WEIGHT: 182.21636
SMILES: CC1(CC(C(=O)C(=O)C1=O)(C)C)C
Structure:

CAS RN: 57722-40-4
CAS Name: 3-bicyclo[2.2.1]hept-2-enyloxy(trimethyl)silane
OPENEYE Name: 3-bicyclo[2.2.1]hept-2-enyloxy(trimethyl)silane
IUPAC Name: 3-bicyclo[2.2.1]hept-2-enyloxy(trimethyl)silane
SYSTEMATIC NAME: 3-bicyclo[2.2.1]hept-2-enyloxy(trimethyl)silane
MOLECULAR FORMULA: C10H18OSi
MOLECULAR WEIGHT: 182.33482
SMILES: C[Si](C)(C)OC1=CC2CCC1C2
Structure:

CAS RN: 57718-18-0
CAS Name: non-1-ynylbenzene
OPENEYE Name: non-1-ynylbenzene
IUPAC Name: non-1-ynylbenzene
SYSTEMATIC NAME: non-1-ynylbenzene
MOLECULAR FORMULA: C15H20
MOLECULAR WEIGHT: 200.3193
SMILES: CCCCCCCC#CC1=CC=CC=C1
Structure:

CAS RN: 57626-52-5
CAS Name: 2,4,5-trimethyl-1,2,4-triazol-3-one
OPENEYE Name: 2,4,5-trimethyl-1,2,4-triazol-3-one
IUPAC Name: 2,4,5-trimethyl-1,2,4-triazol-3-one
SYSTEMATIC NAME: 2,4,5-trimethyl-1,2,4-triazol-3-one
MOLECULAR FORMULA: C5H9N3O
MOLECULAR WEIGHT: 127.14446
SMILES: CC1=NN(C(=O)N1C)C
Structure:

CAS RN: 57625-74-8
CAS Name: 2-methyl-2-phenylpropanoic acid methyl ester
OPENEYE Name: methyl 2-methyl-2-phenyl-propanoate
IUPAC Name: methyl 2-methyl-2-phenylpropanoate
SYSTEMATIC NAME: methyl 2-methyl-2-phenyl-propanoate
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(C)(C1=CC=CC=C1)C(=O)OC
Structure:

CAS RN: 57602-97-8
CAS Name: 2,2,4,4-tetramethyl-3-pentanethiol
OPENEYE Name: 2,2,4,4-tetramethylpentane-3-thiol
IUPAC Name: 2,2,4,4-tetramethylpentane-3-thiol
SYSTEMATIC NAME: 2,2,4,4-tetramethylpentane-3-thiol
MOLECULAR FORMULA: C9H20S
MOLECULAR WEIGHT: 160.3201
SMILES: CC(C)(C)C(C(C)(C)C)S
Structure:

CAS RN: 57595-39-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: C1CC2C=CC3C2C1CC3
Structure:

CAS RN: 57556-20-4
CAS Name: 3,3,5-trimethyl-2-selenophenone
OPENEYE Name: 3,3,5-trimethylselenophen-2-one
IUPAC Name: 3,3,5-trimethylselenophen-2-one
SYSTEMATIC NAME: 3,3,5-trimethylselenophen-2-one
MOLECULAR FORMULA: C7H10OSe
MOLECULAR WEIGHT: 189.1137
SMILES: CC1=CC(C(=O)[Se]1)(C)C
Structure:

CAS RN: 57556-18-0
CAS Name: 3-tert-butyl-3-methyl-2-thiophenone
OPENEYE Name: 3-tert-butyl-3-methyl-thiophen-2-one
IUPAC Name: 3-tert-butyl-3-methylthiophen-2-one
SYSTEMATIC NAME: 3-tert-butyl-3-methyl-thiophen-2-one
MOLECULAR FORMULA: C9H14OS
MOLECULAR WEIGHT: 170.27186
SMILES: CC1(C=CSC1=O)C(C)(C)C
Structure:

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