Tuesday, November 27, 2012

http://ChemLookup.com Compounds




CAS RN: 2259-85-0
CAS Name: N-hydroxydecanamide
OPENEYE Name: decanehydroxamic acid
IUPAC Name: N-hydroxydecanamide
SYSTEMATIC NAME: N-oxidanyldecanamide
MOLECULAR FORMULA: C10H21NO2
MOLECULAR WEIGHT: 187.27924
SMILES: CCCCCCCCCC(=O)NO
Structure:

CAS RN: 1320-75-8
CAS Name: (2R)-2-(ethylamino)-3-mercaptopropanoic acid
OPENEYE Name: (2R)-2-(ethylamino)-3-sulfanyl-propanoic acid
IUPAC Name: (2R)-2-(ethylamino)-3-sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-(ethylamino)-3-sulfanyl-propanoic acid
MOLECULAR FORMULA: C5H11NO2S
MOLECULAR WEIGHT: 149.21134
SMILES: CCN[C@@H](CS)C(=O)O
Structure:

CAS RN: 50787-12-7
CAS Name: 3-tert-butyl-2,2,5-trimethyl-3-hexene
OPENEYE Name: 3-tert-butyl-2,2,5-trimethyl-hex-3-ene
IUPAC Name: 3-tert-butyl-2,2,5-trimethylhex-3-ene
SYSTEMATIC NAME: 3-tert-butyl-2,2,5-trimethyl-hex-3-ene
MOLECULAR FORMULA: C13H26
MOLECULAR WEIGHT: 182.34554
SMILES: CC(C)C=C(C(C)(C)C)C(C)(C)C
Structure:

CAS RN: 50786-62-4
CAS Name: ethynylcyclobutane
OPENEYE Name: ethynylcyclobutane
IUPAC Name: ethynylcyclobutane
SYSTEMATIC NAME: ethynylcyclobutane
MOLECULAR FORMULA: C6H8
MOLECULAR WEIGHT: 80.12772
SMILES: C#CC1CCC1
Structure:

CAS RN: 50786-03-3
CAS Name: 4a-methyl-7,7-diphenyl-4,5,6,8-tetrahydro-3H-naphthalen-2-one
OPENEYE Name: 4a-methyl-7,7-diphenyl-4,5,6,8-tetrahydro-3H-naphthalen-2-one
IUPAC Name: 4a-methyl-7,7-diphenyl-4,5,6,8-tetrahydro-3H-naphthalen-2-one
SYSTEMATIC NAME: 4a-methyl-7,7-diphenyl-4,5,6,8-tetrahydro-3H-naphthalen-2-one
MOLECULAR FORMULA: C23H24O
MOLECULAR WEIGHT: 316.43606
SMILES: CC12CCC(=O)C=C1CC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:

CAS RN: 50766-86-4
CAS Name: 1-(3-nitrophenyl)-1-butanone
OPENEYE Name: 1-(3-nitrophenyl)butan-1-one
IUPAC Name: 1-(3-nitrophenyl)butan-1-one
SYSTEMATIC NAME: 1-(3-nitrophenyl)butan-1-one
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CCCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Structure:

CAS RN: 50745-92-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H18
MOLECULAR WEIGHT: 150.26062
SMILES: CC1C2CCC1C3C2CCC3
Structure:

CAS RN: 50745-90-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H18
MOLECULAR WEIGHT: 150.26062
SMILES: CC1CC2C3CCC(C3)C2C1
Structure:

CAS RN: 50733-60-3
CAS Name: 3-[2-(difluoromethoxy)-2-oxoethoxy]-2,2,3,3-tetrafluoropropanoic acid methyl ester
OPENEYE Name: methyl 3-[2-(difluoromethoxy)-2-oxo-ethoxy]-2,2,3,3-tetrafluoro-propanoate
IUPAC Name: methyl 3-[2-(difluoromethoxy)-2-oxoethoxy]-2,2,3,3-tetrafluoropropanoate
SYSTEMATIC NAME: methyl 3-[2-[bis(fluoranyl)methoxy]-2-oxidanylidene-ethoxy]-2,2,3,3-tetrakis(fluoranyl)propanoate
MOLECULAR FORMULA: C7H6F6O5
MOLECULAR WEIGHT: 284.109959
SMILES: COC(=O)C(C(OCC(=O)OC(F)F)(F)F)(F)F
Structure:

CAS RN: 50712-70-4
CAS Name: 5-chloro-2-methylbenzonitrile
OPENEYE Name: 5-chloro-2-methyl-benzonitrile
IUPAC Name: 5-chloro-2-methylbenzonitrile
SYSTEMATIC NAME: 5-chloranyl-2-methyl-benzenecarbonitrile
MOLECULAR FORMULA: C8H6ClN
MOLECULAR WEIGHT: 151.59294
SMILES: CC1=C(C=C(C=C1)Cl)C#N
Structure:

CAS RN: 50712-68-0
CAS Name: 4-chloro-2-methylbenzonitrile
OPENEYE Name: 4-chloro-2-methyl-benzonitrile
IUPAC Name: 4-chloro-2-methylbenzonitrile
SYSTEMATIC NAME: 4-chloranyl-2-methyl-benzenecarbonitrile
MOLECULAR FORMULA: C8H6ClN
MOLECULAR WEIGHT: 151.59294
SMILES: CC1=C(C=CC(=C1)Cl)C#N
Structure:

CAS RN: 50708-37-7
CAS Name: 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole
OPENEYE Name: 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole
IUPAC Name: 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole
SYSTEMATIC NAME: 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole
MOLECULAR FORMULA: C10H12S4
MOLECULAR WEIGHT: 260.46228
SMILES: CC1=C(SC(=C2SC(=C(S2)C)C)S1)C
Structure:

CAS RN: 50695-43-7
CAS Name: 1,2,3,3-tetramethyldiaziridine
OPENEYE Name: 1,2,3,3-tetramethyldiaziridine
IUPAC Name: 1,2,3,3-tetramethyldiaziridine
SYSTEMATIC NAME: 1,2,3,3-tetramethyl-1,2-diaziridine
MOLECULAR FORMULA: C5H12N2
MOLECULAR WEIGHT: 100.16218
SMILES: CC1(N(N1C)C)C
Structure:

CAS RN: 285-50-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C1C2CC2CC3C1C3
Structure:

CAS RN: 50695-42-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C1C2CC2CC3C1C3
Structure:

CAS RN: 50669-04-0
CAS Name: 9-thiabicyclo[4.2.1]nona-2,4-diene
OPENEYE Name: 9-thiabicyclo[4.2.1]nona-2,4-diene
IUPAC Name: 9-thiabicyclo[4.2.1]nona-2,4-diene
SYSTEMATIC NAME: 9-thiabicyclo[4.2.1]nona-2,4-diene
MOLECULAR FORMULA: C8H10S
MOLECULAR WEIGHT: 138.23
SMILES: C1CC2C=CC=CC1S2
Structure:

CAS RN: 50654-36-9
CAS Name: tetrakis(2,2-dimethylpropyl)germane
OPENEYE Name: tetrakis(2,2-dimethylpropyl)germane
IUPAC Name: tetrakis(2,2-dimethylpropyl)germane
SYSTEMATIC NAME: tetrakis(2,2-dimethylpropyl)germane
MOLECULAR FORMULA: C20H44Ge
MOLECULAR WEIGHT: 357.20336
SMILES: CC(C)(C)C[Ge](CC(C)(C)C)(CC(C)(C)C)CC(C)(C)C
Structure:

CAS RN: 50654-35-8
CAS Name: hafnium(4+); 2-methanidyl-2-methylpropane
OPENEYE Name: hafnium(4+); 2-methanidyl-2-methyl-propane
IUPAC Name: hafnium(4+); 2-methanidyl-2-methylpropane
SYSTEMATIC NAME: hafnium(4+); 2-methanidyl-2-methyl-propane
MOLECULAR FORMULA: C20H44Hf
MOLECULAR WEIGHT: 463.05336
SMILES: CC(C)(C)[CH2-].CC(C)(C)[CH2-].CC(C)(C)[CH2-].CC(C)(C)[CH2-].[Hf+4]
Structure:

CAS RN: 50647-38-6
CAS Name: europium cyanide
OPENEYE Name: europium cyanide
IUPAC Name: europium cyanide
SYSTEMATIC NAME: europium cyanide
MOLECULAR FORMULA: CEuN-
MOLECULAR WEIGHT: 177.9814
SMILES: [C-]#N.[Eu]
Structure:

CAS RN: 50645-42-6
CAS Name: pentatellurolane
OPENEYE Name: pentatellurolane
IUPAC Name: pentatellurolane
SYSTEMATIC NAME: 1,2,3,4,5-pentatellurolane
MOLECULAR FORMULA: Te5
MOLECULAR WEIGHT: 638
SMILES: [Te]1[Te][Te][Te][Te]1
Structure:

CAS RN: 50645-41-5
CAS Name: tritellurirane
OPENEYE Name: tritellurirane
IUPAC Name: tritellurirane
SYSTEMATIC NAME: 1,2,3-tritellurirane
MOLECULAR FORMULA: Te3
MOLECULAR WEIGHT: 382.8
SMILES: [Te]1[Te][Te]1
Structure:

CAS RN: 50638-54-5
CAS Name: 4-bromo-N,N,2,6-tetramethylaniline
OPENEYE Name: 4-bromo-N,N,2,6-tetramethyl-aniline
IUPAC Name: 4-bromo-N,N,2,6-tetramethylaniline
SYSTEMATIC NAME: 4-bromanyl-N,N,2,6-tetramethyl-aniline
MOLECULAR FORMULA: C10H14BrN
MOLECULAR WEIGHT: 228.12886
SMILES: CC1=CC(=CC(=C1N(C)C)C)Br
Structure:

CAS RN: 50627-07-1
CAS Name: 2-nitrodecane
OPENEYE Name: 2-nitrodecane
IUPAC Name: 2-nitrodecane
SYSTEMATIC NAME: 2-nitrodecane
MOLECULAR FORMULA: C10H21NO2
MOLECULAR WEIGHT: 187.27924
SMILES: CCCCCCCCC(C)[N+](=O)[O-]
Structure:

CAS RN: 50606-31-0
CAS Name: 1-piperazinecarboxylic acid methyl ester
OPENEYE Name: methyl piperazine-1-carboxylate
IUPAC Name: methyl piperazine-1-carboxylate
SYSTEMATIC NAME: methyl piperazine-1-carboxylate
MOLECULAR FORMULA: C6H12N2O2
MOLECULAR WEIGHT: 144.17168
SMILES: COC(=O)N1CCNCC1
Structure:

CAS RN: 50599-43-4
CAS Name: 1,1,2-triethyl-2-methylhydrazine
OPENEYE Name: 1,1,2-triethyl-2-methyl-hydrazine
IUPAC Name: 1,1,2-triethyl-2-methylhydrazine
SYSTEMATIC NAME: 1,1,2-triethyl-2-methyl-diazane
MOLECULAR FORMULA: C7H18N2
MOLECULAR WEIGHT: 130.23122
SMILES: CCN(C)N(CC)CC
Structure:

CAS RN: 50599-41-2
CAS Name: 1-ethyl-1,2,2-trimethylhydrazine
OPENEYE Name: 1-ethyl-1,2,2-trimethyl-hydrazine
IUPAC Name: 1-ethyl-1,2,2-trimethylhydrazine
SYSTEMATIC NAME: 1-ethyl-1,2,2-trimethyl-diazane
MOLECULAR FORMULA: C5H14N2
MOLECULAR WEIGHT: 102.17806
SMILES: CCN(C)N(C)C
Structure:

CAS RN: 50597-88-1
CAS Name: 2-iodo-1-methoxy-4-methylbenzene
OPENEYE Name: 2-iodo-1-methoxy-4-methyl-benzene
IUPAC Name: 2-iodo-1-methoxy-4-methylbenzene
SYSTEMATIC NAME: 2-iodanyl-1-methoxy-4-methyl-benzene
MOLECULAR FORMULA: C8H9IO
MOLECULAR WEIGHT: 248.06093
SMILES: CC1=CC(=C(C=C1)OC)I
Structure:

CAS RN: 50592-56-8
CAS Name: 3-(1-methyl-2-oxo-3,3-diphenylcyclohexyl)propanal
OPENEYE Name: 3-(1-methyl-2-oxo-3,3-diphenyl-cyclohexyl)propanal
IUPAC Name: 3-(1-methyl-2-oxo-3,3-diphenylcyclohexyl)propanal
SYSTEMATIC NAME: 3-(1-methyl-2-oxidanylidene-3,3-diphenyl-cyclohexyl)propanal
MOLECULAR FORMULA: C22H24O2
MOLECULAR WEIGHT: 320.42476
SMILES: CC1(CCCC(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCC=O
Structure:

CAS RN: 50592-55-7
CAS Name: 2-methyl-2-(3-oxobutyl)-6,6-diphenyl-1-cyclohexanone
OPENEYE Name: 2-methyl-2-(3-oxobutyl)-6,6-diphenyl-cyclohexanone
IUPAC Name: 2-methyl-2-(3-oxobutyl)-6,6-diphenylcyclohexan-1-one
SYSTEMATIC NAME: 2-methyl-2-(3-oxidanylidenebutyl)-6,6-diphenyl-cyclohexan-1-one
MOLECULAR FORMULA: C23H26O2
MOLECULAR WEIGHT: 334.45134
SMILES: CC(=O)CCC1(CCCC(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)C
Structure:

CAS RN: 50592-53-5
CAS Name: 2,2-dimethyl-6,6-diphenyl-1-cyclohexanone
OPENEYE Name: 2,2-dimethyl-6,6-diphenyl-cyclohexanone
IUPAC Name: 2,2-dimethyl-6,6-diphenylcyclohexan-1-one
SYSTEMATIC NAME: 2,2-dimethyl-6,6-diphenyl-cyclohexan-1-one
MOLECULAR FORMULA: C20H22O
MOLECULAR WEIGHT: 278.38808
SMILES: CC1(CCCC(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)C
Structure:

CAS RN: 50592-52-4
CAS Name: 6-methyl-2,2-diphenyl-1-cyclohexanone
OPENEYE Name: 6-methyl-2,2-diphenyl-cyclohexanone
IUPAC Name: 6-methyl-2,2-diphenylcyclohexan-1-one
SYSTEMATIC NAME: 6-methyl-2,2-diphenyl-cyclohexan-1-one
MOLECULAR FORMULA: C19H20O
MOLECULAR WEIGHT: 264.3615
SMILES: CC1CCCC(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 50592-50-2
CAS Name: 8a-methyl-6,6-diphenyl-1,2,3,5,7,8-hexahydronaphthalene
OPENEYE Name: 8a-methyl-6,6-diphenyl-1,2,3,5,7,8-hexahydronaphthalene
IUPAC Name: 8a-methyl-6,6-diphenyl-1,2,3,5,7,8-hexahydronaphthalene
SYSTEMATIC NAME: 8a-methyl-6,6-diphenyl-1,2,3,5,7,8-hexahydronaphthalene
MOLECULAR FORMULA: C23H26
MOLECULAR WEIGHT: 302.45254
SMILES: CC12CCCC=C1CC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:

CAS RN: 50592-49-9
CAS Name: 2-methyl-5,5-diphenyl-1-cyclohexanone
OPENEYE Name: 2-methyl-5,5-diphenyl-cyclohexanone
IUPAC Name: 2-methyl-5,5-diphenylcyclohexan-1-one
SYSTEMATIC NAME: 2-methyl-5,5-diphenyl-cyclohexan-1-one
MOLECULAR FORMULA: C19H20O
MOLECULAR WEIGHT: 264.3615
SMILES: CC1CCC(CC1=O)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 50592-48-8
CAS Name: (4-methyl-1-phenyl-1-cyclohex-3-enyl)benzene
OPENEYE Name: (4-methyl-1-phenyl-cyclohex-3-en-1-yl)benzene
IUPAC Name: (4-methyl-1-phenylcyclohex-3-en-1-yl)benzene
SYSTEMATIC NAME: (4-methyl-1-phenyl-cyclohex-3-en-1-yl)benzene
MOLECULAR FORMULA: C19H20
MOLECULAR WEIGHT: 248.3621
SMILES: CC1=CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 50592-47-7
CAS Name: 1-methyl-4,4-diphenyl-1-cyclohexanol
OPENEYE Name: 1-methyl-4,4-diphenyl-cyclohexanol
IUPAC Name: 1-methyl-4,4-diphenylcyclohexan-1-ol
SYSTEMATIC NAME: 1-methyl-4,4-diphenyl-cyclohexan-1-ol
MOLECULAR FORMULA: C19H22O
MOLECULAR WEIGHT: 266.37738
SMILES: CC1(CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3)O
Structure:

CAS RN: 50555-55-0
CAS Name: 2,3-diethynylthiirane
OPENEYE Name: 2,3-diethynylthiirane
IUPAC Name: 2,3-diethynylthiirane
SYSTEMATIC NAME: 2,3-diethynylthiirane
MOLECULAR FORMULA: C6H4S
MOLECULAR WEIGHT: 108.16096
SMILES: C#CC1C(S1)C#C
Structure:

CAS RN: 50555-56-1
CAS Name: 2,3-diethynylthiirane
OPENEYE Name: 2,3-diethynylthiirane
IUPAC Name: 2,3-diethynylthiirane
SYSTEMATIC NAME: 2,3-diethynylthiirane
MOLECULAR FORMULA: C6H4S
MOLECULAR WEIGHT: 108.16096
SMILES: C#CC1C(S1)C#C
Structure:

CAS RN: 50551-88-7
CAS Name: 5-methyl-5-hexen-2-ol
OPENEYE Name: 5-methylhex-5-en-2-ol
IUPAC Name: 5-methylhex-5-en-2-ol
SYSTEMATIC NAME: 5-methylhex-5-en-2-ol
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CC(CCC(=C)C)O
Structure:

CAS RN: 50550-56-6
CAS Name: 4-methylenethiane
OPENEYE Name: 4-methylenetetrahydrothiopyran
IUPAC Name: 4-methylidenethiane
SYSTEMATIC NAME: 4-methylidenethiane
MOLECULAR FORMULA: C6H10S
MOLECULAR WEIGHT: 114.2086
SMILES: C=C1CCSCC1
Structure:

CAS RN: 50530-12-6
CAS Name: 10-bromodecanoic acid
OPENEYE Name: 10-bromodecanoic acid
IUPAC Name: 10-bromodecanoic acid
SYSTEMATIC NAME: 10-bromanyldecanoic acid
MOLECULAR FORMULA: C10H19BrO2
MOLECULAR WEIGHT: 251.16066
SMILES: C(CCCCC(=O)O)CCCCBr
Structure:

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