Tuesday, November 27, 2012

http://ChemLookup.com Compounds




CAS RN: 52148-56-8
CAS Name: 7,8-dioxabicyclo[4.2.2]dec-9-ene
OPENEYE Name: 7,8-dioxabicyclo[4.2.2]dec-9-ene
IUPAC Name: 7,8-dioxabicyclo[4.2.2]dec-9-ene
SYSTEMATIC NAME: 7,8-dioxabicyclo[4.2.2]dec-9-ene
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: C1CCC2C=CC(C1)OO2
Structure:

CAS RN: 52146-32-4
CAS Name: 2-fluoropropane
OPENEYE Name: 2-fluoropropane
IUPAC Name: 2-fluoropropane
SYSTEMATIC NAME: 2-fluoranylpropane
MOLECULAR FORMULA: C3H6F
MOLECULAR WEIGHT: 61.078143
SMILES: C[C](C)F
Structure:

CAS RN: 52109-67-8
CAS Name: 5-methyl-6-phenylpyrazine-2,3-dicarbonitrile
OPENEYE Name: 5-methyl-6-phenyl-pyrazine-2,3-dicarbonitrile
IUPAC Name: 5-methyl-6-phenylpyrazine-2,3-dicarbonitrile
SYSTEMATIC NAME: 5-methyl-6-phenyl-pyrazine-2,3-dicarbonitrile
MOLECULAR FORMULA: C13H8N4
MOLECULAR WEIGHT: 220.22942
SMILES: CC1=NC(=C(N=C1C2=CC=CC=C2)C#N)C#N
Structure:

CAS RN: 52109-66-7
CAS Name: 5-phenylpyrazine-2,3-dicarbonitrile
OPENEYE Name: 5-phenylpyrazine-2,3-dicarbonitrile
IUPAC Name: 5-phenylpyrazine-2,3-dicarbonitrile
SYSTEMATIC NAME: 5-phenylpyrazine-2,3-dicarbonitrile
MOLECULAR FORMULA: C12H6N4
MOLECULAR WEIGHT: 206.20284
SMILES: C1=CC=C(C=C1)C2=CN=C(C(=N2)C#N)C#N
Structure:

CAS RN: 52096-24-9
CAS Name: 1-butylpyrazole
OPENEYE Name: 1-butylpyrazole
IUPAC Name: 1-butylpyrazole
SYSTEMATIC NAME: 1-butylpyrazole
MOLECULAR FORMULA: C7H12N2
MOLECULAR WEIGHT: 124.18358
SMILES: CCCCN1C=CC=N1
Structure:

CAS RN: 52086-82-5
CAS Name: 1,3-dimethylenecyclohexane
OPENEYE Name: 1,3-dimethylenecyclohexane
IUPAC Name: 1,3-dimethylidenecyclohexane
SYSTEMATIC NAME: 1,3-dimethylidenecyclohexane
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C=C1CCCC(=C)C1
Structure:

CAS RN: 52073-04-8
CAS Name: 3-ethyl-1-methyl-1-phenylurea
OPENEYE Name: 3-ethyl-1-methyl-1-phenyl-urea
IUPAC Name: 3-ethyl-1-methyl-1-phenylurea
SYSTEMATIC NAME: 3-ethyl-1-methyl-1-phenyl-urea
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CCNC(=O)N(C)C1=CC=CC=C1
Structure:

CAS RN: 52072-38-5
CAS Name: 1,2-diphenyl-1-nonanone
OPENEYE Name: 1,2-diphenylnonan-1-one
IUPAC Name: 1,2-diphenylnonan-1-one
SYSTEMATIC NAME: 1,2-diphenylnonan-1-one
MOLECULAR FORMULA: C21H26O
MOLECULAR WEIGHT: 294.43054
SMILES: CCCCCCCC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
Structure:

CAS RN: 52067-19-3
CAS Name: fluoroethane
OPENEYE Name: fluoroethane
IUPAC Name: fluoroethane
SYSTEMATIC NAME: fluoranylethane
MOLECULAR FORMULA: C2H4F
MOLECULAR WEIGHT: 47.051563
SMILES: C[CH]F
Structure:

CAS RN: 52066-33-8
CAS Name: 2-methyl-4-hexyn-3-one
OPENEYE Name: 2-methylhex-4-yn-3-one
IUPAC Name: 2-methylhex-4-yn-3-one
SYSTEMATIC NAME: 2-methylhex-4-yn-3-one
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: CC#CC(=O)C(C)C
Structure:

CAS RN: 52031-72-8
CAS Name: 1-(2-tert-butyldioxypropan-2-yl)-4-propan-2-ylbenzene
OPENEYE Name: 1-(1-tert-butylperoxy-1-methyl-ethyl)-4-isopropyl-benzene
IUPAC Name: 1-(2-tert-butylperoxypropan-2-yl)-4-propan-2-ylbenzene
SYSTEMATIC NAME: 1-(2-tert-butylperoxypropan-2-yl)-4-propan-2-yl-benzene
MOLECULAR FORMULA: C16H26O2
MOLECULAR WEIGHT: 250.37644
SMILES: CC(C)C1=CC=C(C=C1)C(C)(C)OOC(C)(C)C
Structure:

CAS RN: 51956-20-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H36Mo2N6-6
MOLECULAR WEIGHT: 456.33444
SMILES: C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Mo]#[Mo]
Structure:

CAS RN: 51934-41-9
CAS Name: 4-iodobenzoic acid ethyl ester
OPENEYE Name: ethyl 4-iodobenzoate
IUPAC Name: ethyl 4-iodobenzoate
SYSTEMATIC NAME: ethyl 4-iodanylbenzoate
MOLECULAR FORMULA: C9H9IO2
MOLECULAR WEIGHT: 276.07103
SMILES: CCOC(=O)C1=CC=C(C=C1)I
Structure:

CAS RN: 51898-92-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC1(C2C1C3C(C3(C)C)C4C2C4(C)C)C
Structure:

CAS RN: 51788-80-8
CAS Name: 1-(4-fluoro-2-methoxyphenyl)ethanone
OPENEYE Name: 1-(4-fluoro-2-methoxy-phenyl)ethanone
IUPAC Name: 1-(4-fluoro-2-methoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(4-fluoranyl-2-methoxy-phenyl)ethanone
MOLECULAR FORMULA: C9H9FO2
MOLECULAR WEIGHT: 168.164963
SMILES: CC(=O)C1=C(C=C(C=C1)F)OC
Structure:

CAS RN: 51787-59-8
CAS Name: 9-azabicyclo[4.2.1]non-7-ene
OPENEYE Name: 9-azabicyclo[4.2.1]non-7-ene
IUPAC Name: 9-azabicyclo[4.2.1]non-7-ene
SYSTEMATIC NAME: 9-azabicyclo[4.2.1]non-7-ene
MOLECULAR FORMULA: C8H13N
MOLECULAR WEIGHT: 123.19552
SMILES: C1CCC2C=CC(C1)N2
Structure:

CAS RN: 51784-10-2
CAS Name: 1,2-dibromo-3-isothiocyanatopropane
OPENEYE Name: 1,2-dibromo-3-isothiocyanato-propane
IUPAC Name: 1,2-dibromo-3-isothiocyanatopropane
SYSTEMATIC NAME: 1,2-bis(bromanyl)-3-isothiocyanato-propane
MOLECULAR FORMULA: C4H5Br2NS
MOLECULAR WEIGHT: 258.9622
SMILES: C(C(CBr)Br)N=C=S
Structure:

CAS RN: 51777-79-8
CAS Name: difluorogallane
OPENEYE Name: difluorogallane
IUPAC Name: difluorogallane
SYSTEMATIC NAME: bis(fluoranyl)gallane
MOLECULAR FORMULA: F2GaH
MOLECULAR WEIGHT: 108.727746
SMILES: F[GaH]F
Structure:

CAS RN: 51776-45-5
CAS Name: 2-methoxy-3-methyl-1-butene
OPENEYE Name: 2-methoxy-3-methyl-but-1-ene
IUPAC Name: 2-methoxy-3-methylbut-1-ene
SYSTEMATIC NAME: 2-methoxy-3-methyl-but-1-ene
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CC(C)C(=C)OC
Structure:

CAS RN: 51770-98-0
CAS Name: 2-ethoxyacetamide
OPENEYE Name: 2-ethoxyacetamide
IUPAC Name: 2-ethoxyacetamide
SYSTEMATIC NAME: 2-ethoxyethanamide
MOLECULAR FORMULA: C4H9NO2
MOLECULAR WEIGHT: 103.11976
SMILES: CCOCC(=O)N
Structure:

CAS RN: 51750-59-5
CAS Name: gallanylformonitrile
OPENEYE Name: gallanylformonitrile
IUPAC Name: gallanylformonitrile
SYSTEMATIC NAME: gallanylmethanenitrile
MOLECULAR FORMULA: CH2GaN
MOLECULAR WEIGHT: 97.75628
SMILES: C(#N)[GaH2]
Structure:

CAS RN: 51749-29-2
CAS Name: N-(4-butylphenyl)-1-(4-decoxyphenyl)methanimine
OPENEYE Name: N-(4-butylphenyl)-1-(4-decoxyphenyl)methanimine
IUPAC Name: N-(4-butylphenyl)-1-(4-decoxyphenyl)methanimine
SYSTEMATIC NAME: N-(4-butylphenyl)-1-(4-decoxyphenyl)methanimine
MOLECULAR FORMULA: C27H39NO
MOLECULAR WEIGHT: 393.60466
SMILES: CCCCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)CCCC
Structure:

CAS RN: 51749-28-1
CAS Name: N-(4-butylphenyl)-1-(4-nonoxyphenyl)methanimine
OPENEYE Name: N-(4-butylphenyl)-1-(4-nonoxyphenyl)methanimine
IUPAC Name: N-(4-butylphenyl)-1-(4-nonoxyphenyl)methanimine
SYSTEMATIC NAME: N-(4-butylphenyl)-1-(4-nonoxyphenyl)methanimine
MOLECULAR FORMULA: C26H37NO
MOLECULAR WEIGHT: 379.57808
SMILES: CCCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)CCCC
Structure:

CAS RN: 51745-97-2
CAS Name: 6-bromohexoxybenzene
OPENEYE Name: 6-bromohexoxybenzene
IUPAC Name: 6-bromohexoxybenzene
SYSTEMATIC NAME: 6-bromanylhexoxybenzene
MOLECULAR FORMULA: C12H17BrO
MOLECULAR WEIGHT: 257.16678
SMILES: C1=CC=C(C=C1)OCCCCCCBr
Structure:

CAS RN: 51716-04-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H12F4
MOLECULAR WEIGHT: 256.238693
SMILES: CC(=C1C2CCC1C3=C2C(=C(C(=C3F)F)F)F)C
Structure:

CAS RN: 51708-83-9
CAS Name: 2,6-dimethylhepta-1,6-diene
OPENEYE Name: 2,6-dimethylhepta-1,6-diene
IUPAC Name: 2,6-dimethylhepta-1,6-diene
SYSTEMATIC NAME: 2,6-dimethylhepta-1,6-diene
MOLECULAR FORMULA: C9H16
MOLECULAR WEIGHT: 124.22334
SMILES: CC(=C)CCCC(=C)C
Structure:

CAS RN: 51698-73-8
CAS Name: 2,3-dimethylenebicyclo[2.2.2]octa-5,7-diene
OPENEYE Name: 2,3-dimethylenebicyclo[2.2.2]octa-5,7-diene
IUPAC Name: 2,3-dimethylidenebicyclo[2.2.2]octa-5,7-diene
SYSTEMATIC NAME: 2,3-dimethylidenebicyclo[2.2.2]octa-5,7-diene
MOLECULAR FORMULA: C10H10
MOLECULAR WEIGHT: 130.1864
SMILES: C=C1C2C=CC(C1=C)C=C2
Structure:

CAS RN: 51685-13-3
CAS Name: (1,1,2,2,4,4-hexamethyl-5-trimethylphosphoranylidene-1,2,4-trisilolan-3-ylidene)-trimethylphosphorane
OPENEYE Name: [1,1,2,2,4,4-hexamethyl-5-(trimethyl-$l^{5}-phosphanylidene)-1,2,4-trisilolan-3-ylidene]-trimethyl-$l^{5}-phosphane
IUPAC Name: [1,1,2,2,4,4-hexamethyl-5-(trimethyl-$l^{5}-phosphanylidene)-1,2,4-trisilolan-3-ylidene]-trimethyl-$l^{5}-phosphane
SYSTEMATIC NAME: [1,1,2,2,4,4-hexamethyl-5-(trimethyl-$l^{5}-phosphanylidene)-1,2,4-trisilolan-3-ylidene]-trimethyl-$l^{5}-phosphane
MOLECULAR FORMULA: C14H36P2Si3
MOLECULAR WEIGHT: 350.639662
SMILES: C[Si]1(C(=P(C)(C)C)[Si]([Si](C1=P(C)(C)C)(C)C)(C)C)C
Structure:

CAS RN: 51675-53-7
CAS Name: cyclopropylmethyl(trimethyl)stannane
OPENEYE Name: cyclopropylmethyl(trimethyl)stannane
IUPAC Name: cyclopropylmethyl(trimethyl)stannane
SYSTEMATIC NAME: cyclopropylmethyl(trimethyl)stannane
MOLECULAR FORMULA: C7H16Sn
MOLECULAR WEIGHT: 218.91194
SMILES: C[Sn](C)(C)CC1CC1
Structure:

CAS RN: 51655-39-1
CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetonitrile
OPENEYE Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetonitrile
IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetonitrile
SYSTEMATIC NAME: 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanenitrile
MOLECULAR FORMULA: C10H10BrNO2
MOLECULAR WEIGHT: 256.0959
SMILES: COC1=C(C=C(C(=C1)CC#N)Br)OC
Structure:

CAS RN: 51632-28-1
CAS Name: 2-(4-ethylphenyl)acetonitrile
OPENEYE Name: 2-(4-ethylphenyl)acetonitrile
IUPAC Name: 2-(4-ethylphenyl)acetonitrile
SYSTEMATIC NAME: 2-(4-ethylphenyl)ethanenitrile
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: CCC1=CC=C(C=C1)CC#N
Structure:

CAS RN: 51628-12-7
CAS Name: 2-(4-iodophenyl)acetonitrile
OPENEYE Name: 2-(4-iodophenyl)acetonitrile
IUPAC Name: 2-(4-iodophenyl)acetonitrile
SYSTEMATIC NAME: 2-(4-iodophenyl)ethanenitrile
MOLECULAR FORMULA: C8H6IN
MOLECULAR WEIGHT: 243.04441
SMILES: C1=CC(=CC=C1CC#N)I
Structure:

CAS RN: 51627-76-0
CAS Name: 1-azabicyclo[2.2.2]octane-3-carbonitrile
OPENEYE Name: quinuclidine-3-carbonitrile
IUPAC Name: 1-azabicyclo[2.2.2]octane-3-carbonitrile
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octane-3-carbonitrile
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: C1CN2CCC1C(C2)C#N
Structure:

CAS RN: 51627-42-0
CAS Name: 2-methoxy-5-phenyl-1,3,4-oxadiazole
OPENEYE Name: 2-methoxy-5-phenyl-1,3,4-oxadiazole
IUPAC Name: 2-methoxy-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-methoxy-5-phenyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: COC1=NN=C(O1)C2=CC=CC=C2
Structure:

CAS RN: 51625-14-0
CAS Name: 1,3-ditert-butyl-5-(chloromethyl)benzene
OPENEYE Name: 1,3-ditert-butyl-5-(chloromethyl)benzene
IUPAC Name: 1,3-ditert-butyl-5-(chloromethyl)benzene
SYSTEMATIC NAME: 1,3-ditert-butyl-5-(chloromethyl)benzene
MOLECULAR FORMULA: C15H23Cl
MOLECULAR WEIGHT: 238.79612
SMILES: CC(C)(C)C1=CC(=CC(=C1)CCl)C(C)(C)C
Structure:

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