CAS RN: 6943-94-8
CAS Name: 2-methyl-1,2,4-triazine-3,5-dione
OPENEYE Name: 2-methyl-1,2,4-triazine-3,5-dione
IUPAC Name: 2-methyl-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 2-methyl-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C4H5N3O2
MOLECULAR WEIGHT: 127.1014
SMILES: CN1C(=O)NC(=O)C=N1
Structure:
CAS RN: 6942-39-8
CAS Name: 2-bromo-5-fluorobenzoic acid methyl ester
OPENEYE Name: methyl 2-bromo-5-fluoro-benzoate
IUPAC Name: methyl 2-bromo-5-fluorobenzoate
SYSTEMATIC NAME: methyl 2-bromanyl-5-fluoranyl-benzoate
MOLECULAR FORMULA: C8H6BrFO2
MOLECULAR WEIGHT: 233.034443
SMILES: COC(=O)C1=C(C=CC(=C1)F)Br
Structure:
CAS RN: 6940-96-1
CAS Name: 1-tert-butyl-4-dodecoxybenzene
OPENEYE Name: 1-tert-butyl-4-dodecoxy-benzene
IUPAC Name: 1-tert-butyl-4-dodecoxybenzene
SYSTEMATIC NAME: 1-tert-butyl-4-dodecoxy-benzene
MOLECULAR FORMULA: C22H38O
MOLECULAR WEIGHT: 318.53652
SMILES: CCCCCCCCCCCCOC1=CC=C(C=C1)C(C)(C)C
Structure:
CAS RN: 6940-81-4
CAS Name: 2-[(phenylmethyl)amino]-1-propanol
OPENEYE Name: 2-(benzylamino)propan-1-ol
IUPAC Name: 2-(benzylamino)propan-1-ol
SYSTEMATIC NAME: 2-[(phenylmethyl)amino]propan-1-ol
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CC(CO)NCC1=CC=CC=C1
Structure:
CAS RN: 6940-57-4
CAS Name: 1-(6-methyl-2-pyridinyl)ethanone
OPENEYE Name: 1-(6-methyl-2-pyridyl)ethanone
IUPAC Name: 1-(6-methylpyridin-2-yl)ethanone
SYSTEMATIC NAME: 1-(6-methylpyridin-2-yl)ethanone
MOLECULAR FORMULA: C8H9NO
MOLECULAR WEIGHT: 135.16316
SMILES: CC1=CC=CC(=N1)C(=O)C
Structure:
CAS RN: 6932-50-9
CAS Name: 1-methyl-azacycloundecan-2-one
OPENEYE Name: 1-methyl-azacycloundecan-2-one
IUPAC Name: 1-methyl-azacycloundecan-2-one
SYSTEMATIC NAME: 1-methyl-1-azacycloundecan-2-one
MOLECULAR FORMULA: C11H21NO
MOLECULAR WEIGHT: 183.29054
SMILES: CN1CCCCCCCCCC1=O
Structure:
CAS RN: 6932-49-6
CAS Name: 1-methyl-2-azonanone
OPENEYE Name: 1-methylazonan-2-one
IUPAC Name: 1-methylazonan-2-one
SYSTEMATIC NAME: 1-methylazonan-2-one
MOLECULAR FORMULA: C9H17NO
MOLECULAR WEIGHT: 155.23738
SMILES: CN1CCCCCCCC1=O
Structure:
CAS RN: 6931-16-4
CAS Name: 2-methoxyquinoline
OPENEYE Name: 2-methoxyquinoline
IUPAC Name: 2-methoxyquinoline
SYSTEMATIC NAME: 2-methoxyquinoline
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: COC1=NC2=CC=CC=C2C=C1
Structure:
CAS RN: 6931-05-1
CAS Name: 3-methyl-3-nitroso-2-butanone
OPENEYE Name: 3-methyl-3-nitroso-butan-2-one
IUPAC Name: 3-methyl-3-nitrosobutan-2-one
SYSTEMATIC NAME: 3-methyl-3-nitroso-butan-2-one
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: CC(=O)C(C)(C)N=O
Structure:
CAS RN: 6925-42-4
CAS Name: 4-hexan-3-ylphenol
OPENEYE Name: 4-(1-ethylbutyl)phenol
IUPAC Name: 4-hexan-3-ylphenol
SYSTEMATIC NAME: 4-hexan-3-ylphenol
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CCCC(CC)C1=CC=C(C=C1)O
Structure:
CAS RN: 6921-83-1
CAS Name: 5-(4-methylphenyl)-3-dithiolethione
OPENEYE Name: 5-(p-tolyl)dithiole-3-thione
IUPAC Name: 5-(4-methylphenyl)dithiole-3-thione
SYSTEMATIC NAME: 5-(4-methylphenyl)-1,2-dithiole-3-thione
MOLECULAR FORMULA: C10H8S3
MOLECULAR WEIGHT: 224.36552
SMILES: CC1=CC=C(C=C1)C2=CC(=S)SS2
Structure:
CAS RN: 6921-43-3
CAS Name: 1-cyclopropyl-4-methylbenzene
OPENEYE Name: 1-cyclopropyl-4-methyl-benzene
IUPAC Name: 1-cyclopropyl-4-methylbenzene
SYSTEMATIC NAME: 1-cyclopropyl-4-methyl-benzene
MOLECULAR FORMULA: C10H12
MOLECULAR WEIGHT: 132.20228
SMILES: CC1=CC=C(C=C1)C2CC2
Structure:
CAS RN: 6917-76-6
CAS Name: chloro-ethyl-dimethylsilane
OPENEYE Name: chloro-ethyl-dimethyl-silane
IUPAC Name: chloro-ethyl-dimethylsilane
SYSTEMATIC NAME: chloranyl-ethyl-dimethyl-silane
MOLECULAR FORMULA: C4H11ClSi
MOLECULAR WEIGHT: 122.66864
SMILES: CC[Si](C)(C)Cl
Structure:
CAS RN: 6914-63-2
CAS Name: N-[dimethylamino(methyl)boranyl]-N-methylmethanamine
OPENEYE Name: N-[dimethylamino(methyl)boranyl]-N-methyl-methanamine
IUPAC Name: N-[dimethylamino(methyl)boranyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[dimethylamino(methyl)boranyl]-N-methyl-methanamine
MOLECULAR FORMULA: C5H15BN2
MOLECULAR WEIGHT: 113.997
SMILES: B(C)(N(C)C)N(C)C
Structure:
CAS RN: 6912-06-7
CAS Name: $l^{1}-oxidanylethene
OPENEYE Name: $l^{1}-oxidanylethylene
IUPAC Name: $l^{1}-oxidanylethene
SYSTEMATIC NAME: $l^{1}-oxidanylethene
MOLECULAR FORMULA: C2H3O
MOLECULAR WEIGHT: 43.04462
SMILES: C=C[O]
Structure:
CAS RN: 6909-37-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H8
MOLECULAR WEIGHT: 104.14912
SMILES: C1=CC2C3C2C1C=C3
Structure:
CAS RN: 6907-37-5
CAS Name: cyclooctadecanone
OPENEYE Name: cyclooctadecanone
IUPAC Name: cyclooctadecanone
SYSTEMATIC NAME: cyclooctadecanone
MOLECULAR FORMULA: C18H34O
MOLECULAR WEIGHT: 266.46196
SMILES: C1CCCCCCCCC(=O)CCCCCCCC1
Structure:
CAS RN: 6906-32-7
CAS Name: N,N,2-trimethyl-1-propen-1-amine
OPENEYE Name: N,N,2-trimethylprop-1-en-1-amine
IUPAC Name: N,N,2-trimethylprop-1-en-1-amine
SYSTEMATIC NAME: N,N,2-trimethylprop-1-en-1-amine
MOLECULAR FORMULA: C6H13N
MOLECULAR WEIGHT: 99.17412
SMILES: CC(=CN(C)C)C
Structure:
CAS RN: 6906-25-8
CAS Name: 1-(3-methylphenyl)-N-phenylmethanimine
OPENEYE Name: 1-(m-tolyl)-N-phenyl-methanimine
IUPAC Name: 1-(3-methylphenyl)-N-phenylmethanimine
SYSTEMATIC NAME: 1-(3-methylphenyl)-N-phenyl-methanimine
MOLECULAR FORMULA: C14H13N
MOLECULAR WEIGHT: 195.25972
SMILES: CC1=CC=CC(=C1)C=NC2=CC=CC=C2
Structure:
CAS RN: 6898-75-5
CAS Name: N-butyl-2-methyl-1-propanimine
OPENEYE Name: N-butyl-2-methyl-propan-1-imine
IUPAC Name: N-butyl-2-methylpropan-1-imine
SYSTEMATIC NAME: N-butyl-2-methyl-propan-1-imine
MOLECULAR FORMULA: C8H17N
MOLECULAR WEIGHT: 127.22728
SMILES: CCCCN=CC(C)C
Structure:
CAS RN: 6876-49-9
CAS Name: 2-methyl-N-(4-methylphenyl)propanamide
OPENEYE Name: 2-methyl-N-(p-tolyl)propanamide
IUPAC Name: 2-methyl-N-(4-methylphenyl)propanamide
SYSTEMATIC NAME: 2-methyl-N-(4-methylphenyl)propanamide
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CC1=CC=C(C=C1)NC(=O)C(C)C
Structure:
CAS RN: 6876-44-4
CAS Name: 2,2,2-trifluoroacetic acid silyl ester
OPENEYE Name: silyl 2,2,2-trifluoroacetate
IUPAC Name: silyl 2,2,2-trifluoroacetate
SYSTEMATIC NAME: silanyl 2,2,2-tris(fluoranyl)ethanoate
MOLECULAR FORMULA: C2H3F3O2Si
MOLECULAR WEIGHT: 144.12473
SMILES: C(=O)(C(F)(F)F)O[SiH3]
Structure:
CAS RN: 6853-31-2
CAS Name: dideuterio(deuteriooxy)methane
OPENEYE Name: dideuterio(deuteriooxy)methane
IUPAC Name: dideuterio(deuteriooxy)methane
SYSTEMATIC NAME: dideuterio(deuteriooxy)methane
MOLECULAR FORMULA: CH4O
MOLECULAR WEIGHT: 35.060345
SMILES: [2H]C([2H])O[2H]
Structure:
CAS RN: 6843-45-4
CAS Name: 3-methylimidazolidine-2,4-dione
OPENEYE Name: 3-methylimidazolidine-2,4-dione
IUPAC Name: 3-methylimidazolidine-2,4-dione
SYSTEMATIC NAME: 3-methylimidazolidine-2,4-dione
MOLECULAR FORMULA: C4H6N2O2
MOLECULAR WEIGHT: 114.10264
SMILES: CN1C(=O)CNC1=O
Structure:
CAS RN: 6839-93-6
CAS Name: bromo-dimethyl-sulfanylidenephosphorane
OPENEYE Name: bromo-dimethyl-thioxo-$l^{5}-phosphane
IUPAC Name: bromo-dimethyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: bromanyl-dimethyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C2H6BrPS
MOLECULAR WEIGHT: 173.011801
SMILES: CP(=S)(C)Br
Structure:
CAS RN: 6836-39-1
CAS Name: 6-tetradecanol
OPENEYE Name: tetradecan-6-ol
IUPAC Name: tetradecan-6-ol
SYSTEMATIC NAME: tetradecan-6-ol
MOLECULAR FORMULA: C14H30O
MOLECULAR WEIGHT: 214.3874
SMILES: CCCCCCCCC(CCCCC)O
Structure:
CAS RN: 6836-35-7
CAS Name: 1-dodecyl-4-octylcyclohexane
OPENEYE Name: 1-dodecyl-4-octyl-cyclohexane
IUPAC Name: 1-dodecyl-4-octylcyclohexane
SYSTEMATIC NAME: 1-dodecyl-4-octyl-cyclohexane
MOLECULAR FORMULA: C26H52
MOLECULAR WEIGHT: 364.69108
SMILES: CCCCCCCCCCCCC1CCC(CC1)CCCCCCCC
Structure:
CAS RN: 6836-34-6
CAS Name: 1-hexyl-4-tetradecylcyclohexane
OPENEYE Name: 1-hexyl-4-tetradecyl-cyclohexane
IUPAC Name: 1-hexyl-4-tetradecylcyclohexane
SYSTEMATIC NAME: 1-hexyl-4-tetradecyl-cyclohexane
MOLECULAR FORMULA: C26H52
MOLECULAR WEIGHT: 364.69108
SMILES: CCCCCCCCCCCCCCC1CCC(CC1)CCCCCC
Structure:
CAS RN: 6832-21-9
CAS Name: 2,6-di(propan-2-yl)pyridine
OPENEYE Name: 2,6-diisopropylpyridine
IUPAC Name: 2,6-di(propan-2-yl)pyridine
SYSTEMATIC NAME: 2,6-di(propan-2-yl)pyridine
MOLECULAR FORMULA: C11H17N
MOLECULAR WEIGHT: 163.25938
SMILES: CC(C)C1=NC(=CC=C1)C(C)C
Structure:
CAS RN: 6831-91-0
CAS Name: 5-methyl-1-phenylpyrazole
OPENEYE Name: 5-methyl-1-phenyl-pyrazole
IUPAC Name: 5-methyl-1-phenylpyrazole
SYSTEMATIC NAME: 5-methyl-1-phenyl-pyrazole
MOLECULAR FORMULA: C10H10N2
MOLECULAR WEIGHT: 158.1998
SMILES: CC1=CC=NN1C2=CC=CC=C2
Structure:
CAS RN: 6830-83-7
CAS Name: N,2,2-trimethylpropanamide
OPENEYE Name: N,2,2-trimethylpropanamide
IUPAC Name: N,2,2-trimethylpropanamide
SYSTEMATIC NAME: N,2,2-trimethylpropanamide
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: CC(C)(C)C(=O)NC
Structure:
CAS RN: 6829-52-3
CAS Name: methylidynephosphine
OPENEYE Name: methylidynephosphane
IUPAC Name: methylidynephosphane
SYSTEMATIC NAME: methylidynephosphane
MOLECULAR FORMULA: CHP
MOLECULAR WEIGHT: 43.992401
SMILES: C#P
Structure:
CAS RN: 6827-31-2
CAS Name: 1,2-dihydrocyclobuta[b]naphthalene
OPENEYE Name: 1,2-dihydrocyclobuta[b]naphthalene
IUPAC Name: 1,2-dihydrocyclobuta[b]naphthalene
SYSTEMATIC NAME: 1,2-dihydrocyclobuta[b]naphthalene
MOLECULAR FORMULA: C12H10
MOLECULAR WEIGHT: 154.2078
SMILES: C1CC2=CC3=CC=CC=C3C=C21
Structure:
CAS RN: 16529-83-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H12
MOLECULAR WEIGHT: 120.19158
SMILES: C1CC2CC1C3C2C=C3
Structure:
CAS RN: 6827-30-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H12
MOLECULAR WEIGHT: 120.19158
SMILES: C1CC2CC1C3C2C=C3
Structure:
CAS RN: 6816-12-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: F3NO3S
MOLECULAR WEIGHT: 151.06511
SMILES: N(OS(=O)(=O)F)(F)F
Structure:
CAS RN: 6812-39-1
CAS Name: hexadecylcyclopentane
OPENEYE Name: hexadecylcyclopentane
IUPAC Name: hexadecylcyclopentane
SYSTEMATIC NAME: hexadecylcyclopentane
MOLECULAR FORMULA: C21H42
MOLECULAR WEIGHT: 294.55818
SMILES: CCCCCCCCCCCCCCCCC1CCCC1
Structure:
CAS RN: 6809-91-2
CAS Name: 7-bicyclo[4.2.0]octa-1,3,5-trienecarbonitrile
OPENEYE Name: bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
IUPAC Name: bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
SYSTEMATIC NAME: bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
MOLECULAR FORMULA: C9H7N
MOLECULAR WEIGHT: 129.15858
SMILES: C1C(C2=CC=CC=C21)C#N
Structure:
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