Wednesday, December 5, 2012

http://ChemLookup.com Compounds




CAS RN: 930-63-2
CAS Name: 5-methyl-1,2-dihydro-1,2,4-triazol-3-one
OPENEYE Name: 5-methyl-1,2-dihydro-1,2,4-triazol-3-one
IUPAC Name: 5-methyl-1,2-dihydro-1,2,4-triazol-3-one
SYSTEMATIC NAME: 5-methyl-1,2-dihydro-1,2,4-triazol-3-one
MOLECULAR FORMULA: C3H5N3O
MOLECULAR WEIGHT: 99.0913
SMILES: CC1=NC(=O)NN1
Structure:

CAS RN: 930-56-3
CAS Name: 1-(2-methylcyclopropyl)ethanone
OPENEYE Name: 1-(2-methylcyclopropyl)ethanone
IUPAC Name: 1-(2-methylcyclopropyl)ethanone
SYSTEMATIC NAME: 1-(2-methylcyclopropyl)ethanone
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: CC1CC1C(=O)C
Structure:

CAS RN: 930-51-8
CAS Name: ethynylcyclopentane
OPENEYE Name: ethynylcyclopentane
IUPAC Name: ethynylcyclopentane
SYSTEMATIC NAME: ethynylcyclopentane
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C#CC1CCCC1
Structure:

CAS RN: 54140-30-6
CAS Name: ethynylcyclopentane
OPENEYE Name: ethynylcyclopentane
IUPAC Name: ethynylcyclopentane
SYSTEMATIC NAME: ethynylcyclopentane
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C#CC1CCCC1
Structure:

CAS RN: 930-29-0
CAS Name: 1-chlorocyclopentene
OPENEYE Name: 1-chlorocyclopentene
IUPAC Name: 1-chlorocyclopentene
SYSTEMATIC NAME: 1-chloranylcyclopentene
MOLECULAR FORMULA: C5H7Cl
MOLECULAR WEIGHT: 102.56208
SMILES: C1CC=C(C1)Cl
Structure:

CAS RN: 930-26-7
CAS Name: 3-methylenecyclopentene
OPENEYE Name: 3-methylenecyclopentene
IUPAC Name: 3-methylidenecyclopentene
SYSTEMATIC NAME: 3-methylidenecyclopentene
MOLECULAR FORMULA: C6H8
MOLECULAR WEIGHT: 80.12772
SMILES: C=C1CCC=C1
Structure:

CAS RN: 930-25-6
CAS Name: 1,3-dimethylbicyclo[1.1.0]butane
OPENEYE Name: 1,3-dimethylbicyclo[1.1.0]butane
IUPAC Name: 1,3-dimethylbicyclo[1.1.0]butane
SYSTEMATIC NAME: 1,3-dimethylbicyclo[1.1.0]butane
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CC12CC1(C2)C
Structure:

CAS RN: 930-21-2
CAS Name: 2-azetidinone
OPENEYE Name: azetidin-2-one
IUPAC Name: azetidin-2-one
SYSTEMATIC NAME: azetidin-2-one
MOLECULAR FORMULA: C3H5NO
MOLECULAR WEIGHT: 71.0779
SMILES: C1CNC1=O
Structure:

CAS RN: 928-47-2
CAS Name: ethanethioic acid S-butyl ester
OPENEYE Name: S-butyl ethanethioate
IUPAC Name: S-butyl ethanethioate
SYSTEMATIC NAME: S-butyl ethanethioate
MOLECULAR FORMULA: C6H12OS
MOLECULAR WEIGHT: 132.22388
SMILES: CCCCSC(=O)C
Structure:

CAS RN: 927-99-1
CAS Name: 2,5-dimethyl-3-hexyne
OPENEYE Name: 2,5-dimethylhex-3-yne
IUPAC Name: 2,5-dimethylhex-3-yne
SYSTEMATIC NAME: 2,5-dimethylhex-3-yne
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CC(C)C#CC(C)C
Structure:

CAS RN: 927-45-7
CAS Name: 7-tridecanol
OPENEYE Name: tridecan-7-ol
IUPAC Name: tridecan-7-ol
SYSTEMATIC NAME: tridecan-7-ol
MOLECULAR FORMULA: C13H28O
MOLECULAR WEIGHT: 200.36082
SMILES: CCCCCCC(CCCCCC)O
Structure:

CAS RN: 927-21-9
CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxoethyl]amino]acetic acid
OPENEYE Name: 2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid
IUPAC Name: 2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-(2-azanylpropanoylamino)ethanoylamino]ethanoic acid
MOLECULAR FORMULA: C7H13N3O4
MOLECULAR WEIGHT: 203.19582
SMILES: CC(C(=O)NCC(=O)NCC(=O)O)N
Structure:

CAS RN: 3146-40-5
CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxoethyl]amino]acetic acid
OPENEYE Name: 2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid
IUPAC Name: 2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-(2-azanylpropanoylamino)ethanoylamino]ethanoic acid
MOLECULAR FORMULA: C7H13N3O4
MOLECULAR WEIGHT: 203.19582
SMILES: CC(C(=O)NCC(=O)NCC(=O)O)N
Structure:

CAS RN: 89921-48-2
CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxoethyl]amino]acetic acid
OPENEYE Name: 2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid
IUPAC Name: 2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-(2-azanylpropanoylamino)ethanoylamino]ethanoic acid
MOLECULAR FORMULA: C7H13N3O4
MOLECULAR WEIGHT: 203.19582
SMILES: CC(C(=O)NCC(=O)NCC(=O)O)N
Structure:

CAS RN: 926-73-8
CAS Name: ethanethioic acid S-propan-2-yl ester
OPENEYE Name: S-isopropyl ethanethioate
IUPAC Name: S-propan-2-yl ethanethioate
SYSTEMATIC NAME: S-propan-2-yl ethanethioate
MOLECULAR FORMULA: C5H10OS
MOLECULAR WEIGHT: 118.1973
SMILES: CC(C)SC(=O)C
Structure:

CAS RN: 926-67-0
CAS Name: ethanethioic acid O-ethyl ester
OPENEYE Name: O-ethyl ethanethioate
IUPAC Name: O-ethyl ethanethioate
SYSTEMATIC NAME: O-ethyl ethanethioate
MOLECULAR FORMULA: C4H8OS
MOLECULAR WEIGHT: 104.17072
SMILES: CCOC(=S)C
Structure:

CAS RN: 926-66-9
CAS Name: 2-ethoxy-1-propene
OPENEYE Name: 2-ethoxyprop-1-ene
IUPAC Name: 2-ethoxyprop-1-ene
SYSTEMATIC NAME: 2-ethoxyprop-1-ene
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: CCOC(=C)C
Structure:

CAS RN: 926-55-6
CAS Name: 2-methylpent-1-en-3-yne
OPENEYE Name: 2-methylpent-1-en-3-yne
IUPAC Name: 2-methylpent-1-en-3-yne
SYSTEMATIC NAME: 2-methylpent-1-en-3-yne
MOLECULAR FORMULA: C6H8
MOLECULAR WEIGHT: 80.12772
SMILES: CC#CC(=C)C
Structure:

CAS RN: 922-69-0
CAS Name: 1,1-dimethoxyethene
OPENEYE Name: 1,1-dimethoxyethylene
IUPAC Name: 1,1-dimethoxyethene
SYSTEMATIC NAME: 1,1-dimethoxyethene
MOLECULAR FORMULA: C4H8O2
MOLECULAR WEIGHT: 88.10512
SMILES: COC(=C)OC
Structure:

CAS RN: 922-64-5
CAS Name: 2-methylenepropanedinitrile
OPENEYE Name: 2-methylenepropanedinitrile
IUPAC Name: 2-methylidenepropanedinitrile
SYSTEMATIC NAME: 2-methylidenepropanedinitrile
MOLECULAR FORMULA: C4H2N2
MOLECULAR WEIGHT: 78.07208
SMILES: C=C(C#N)C#N
Structure:

CAS RN: 922-59-8
CAS Name: 3-methyl-1-pentyne
OPENEYE Name: 3-methylpent-1-yne
IUPAC Name: 3-methylpent-1-yne
SYSTEMATIC NAME: 3-methylpent-1-yne
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CCC(C)C#C
Structure:

CAS RN: 921-11-9
CAS Name: pentane-2,3,4-trione
OPENEYE Name: pentane-2,3,4-trione
IUPAC Name: pentane-2,3,4-trione
SYSTEMATIC NAME: pentane-2,3,4-trione
MOLECULAR FORMULA: C5H6O3
MOLECULAR WEIGHT: 114.09934
SMILES: CC(=O)C(=O)C(=O)C
Structure:

CAS RN: 920-64-9
CAS Name: 1-chloro-1,1,3,3-tetrafluoro-2-propanone
OPENEYE Name: 1-chloro-1,1,3,3-tetrafluoro-propan-2-one
IUPAC Name: 1-chloro-1,1,3,3-tetrafluoropropan-2-one
SYSTEMATIC NAME: 1-chloranyl-1,1,3,3-tetrakis(fluoranyl)propan-2-one
MOLECULAR FORMULA: C3HClF4O
MOLECULAR WEIGHT: 164.486053
SMILES: C(C(=O)C(F)(F)Cl)(F)F
Structure:

CAS RN: 918-84-3
CAS Name: 3-chloro-3-methylpentane
OPENEYE Name: 3-chloro-3-methyl-pentane
IUPAC Name: 3-chloro-3-methylpentane
SYSTEMATIC NAME: 3-chloranyl-3-methyl-pentane
MOLECULAR FORMULA: C6H13Cl
MOLECULAR WEIGHT: 120.62042
SMILES: CCC(C)(CC)Cl
Structure:

CAS RN: 917-96-4
CAS Name: N-(trideuteriomethyl)methanimine
OPENEYE Name: N-(trideuteriomethyl)methanimine
IUPAC Name: N-(trideuteriomethyl)methanimine
SYSTEMATIC NAME: N-(trideuteriomethyl)methanimine
MOLECULAR FORMULA: C2H5N
MOLECULAR WEIGHT: 46.086285
SMILES: [2H]C([2H])([2H])N=C
Structure:

CAS RN: 917-71-5
CAS Name: protioformic acid
OPENEYE Name: protioformic acid
IUPAC Name: protioformic acid
SYSTEMATIC NAME: protiomethanoic acid
MOLECULAR FORMULA: CH2O2
MOLECULAR WEIGHT: 46.025265
SMILES: [1H]C(=O)O
Structure:

CAS RN: 913-86-0
CAS Name: 1,1,2,2-tetrakis(4-methylphenyl)ethane-1,2-diol
OPENEYE Name: 1,1,2,2-tetrakis(p-tolyl)ethane-1,2-diol
IUPAC Name: 1,1,2,2-tetrakis(4-methylphenyl)ethane-1,2-diol
SYSTEMATIC NAME: 1,1,2,2-tetrakis(4-methylphenyl)ethane-1,2-diol
MOLECULAR FORMULA: C30H30O2
MOLECULAR WEIGHT: 422.558
SMILES: CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(C3=CC=C(C=C3)C)(C4=CC=C(C=C4)C)O)O
Structure:

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