CAS RN: 5462-27-1
CAS Name: acetic acid (4,5-diacetyloxy-2-methylphenyl) ester
OPENEYE Name: (4,5-diacetoxy-2-methyl-phenyl) acetate
IUPAC Name: (4,5-diacetyloxy-2-methylphenyl) acetate
SYSTEMATIC NAME: (4,5-diacetyloxy-2-methyl-phenyl) ethanoate
MOLECULAR FORMULA: C13H14O6
MOLECULAR WEIGHT: 266.24666
SMILES: CC1=CC(=C(C=C1OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 5460-60-6
CAS Name: 2-phenyl-N-(2-phenylethyl)acetamide
OPENEYE Name: 2-phenyl-N-(2-phenylethyl)acetamide
IUPAC Name: 2-phenyl-N-(2-phenylethyl)acetamide
SYSTEMATIC NAME: 2-phenyl-N-(2-phenylethyl)ethanamide
MOLECULAR FORMULA: C16H17NO
MOLECULAR WEIGHT: 239.31228
SMILES: C1=CC=C(C=C1)CCNC(=O)CC2=CC=CC=C2
Structure:
CAS RN: 5458-54-8
CAS Name: 5-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
OPENEYE Name: 5-isobutyltetralin
IUPAC Name: 5-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: 5-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C14H20
MOLECULAR WEIGHT: 188.3086
SMILES: CC(C)CC1=CC=CC2=C1CCCC2
Structure:
CAS RN: 5458-16-2
CAS Name: pentan-2-ylcyclopropane
OPENEYE Name: 1-methylbutylcyclopropane
IUPAC Name: pentan-2-ylcyclopropane
SYSTEMATIC NAME: pentan-2-ylcyclopropane
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CCCC(C)C1CC1
Structure:
CAS RN: 5457-40-9
CAS Name: pent-1-en-2-ylcyclopropane
OPENEYE Name: 1-methylenebutylcyclopropane
IUPAC Name: pent-1-en-2-ylcyclopropane
SYSTEMATIC NAME: pent-1-en-2-ylcyclopropane
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CCCC(=C)C1CC1
Structure:
CAS RN: 5456-94-0
CAS Name: 1,5-dibromo-2-methoxy-4-methylbenzene
OPENEYE Name: 1,5-dibromo-2-methoxy-4-methyl-benzene
IUPAC Name: 1,5-dibromo-2-methoxy-4-methylbenzene
SYSTEMATIC NAME: 1,5-bis(bromanyl)-2-methoxy-4-methyl-benzene
MOLECULAR FORMULA: C8H8Br2O
MOLECULAR WEIGHT: 279.95652
SMILES: CC1=CC(=C(C=C1Br)Br)OC
Structure:
CAS RN: 5455-94-7
CAS Name: 2,2,5,5-tetramethyl-3-oxolanone
OPENEYE Name: 2,2,5,5-tetramethyltetrahydrofuran-3-one
IUPAC Name: 2,2,5,5-tetramethyloxolan-3-one
SYSTEMATIC NAME: 2,2,5,5-tetramethyloxolan-3-one
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CC1(CC(=O)C(O1)(C)C)C
Structure:
CAS RN: 5455-59-4
CAS Name: 2-nitrobenzenesulfonamide
OPENEYE Name: 2-nitrobenzenesulfonamide
IUPAC Name: 2-nitrobenzenesulfonamide
SYSTEMATIC NAME: 2-nitrobenzenesulfonamide
MOLECULAR FORMULA: C6H6N2O4S
MOLECULAR WEIGHT: 202.18784
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N
Structure:
CAS RN: 5455-35-6
CAS Name: 5-methyl-5-propan-2-ylimidazolidine-2,4-dione
OPENEYE Name: 5-isopropyl-5-methyl-imidazolidine-2,4-dione
IUPAC Name: 5-methyl-5-propan-2-ylimidazolidine-2,4-dione
SYSTEMATIC NAME: 5-methyl-5-propan-2-yl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C7H12N2O2
MOLECULAR WEIGHT: 156.18238
SMILES: CC(C)C1(C(=O)NC(=O)N1)C
Structure:
CAS RN: 5455-24-3
CAS Name: octane-4,5-dione
OPENEYE Name: octane-4,5-dione
IUPAC Name: octane-4,5-dione
SYSTEMATIC NAME: octane-4,5-dione
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CCCC(=O)C(=O)CCC
Structure:
CAS RN: 5451-83-2
CAS Name: acetic acid (3-methoxyphenyl) ester
OPENEYE Name: (3-methoxyphenyl) acetate
IUPAC Name: (3-methoxyphenyl) acetate
SYSTEMATIC NAME: (3-methoxyphenyl) ethanoate
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC(=O)OC1=CC(=CC=C1)OC
Structure:
CAS RN: 5448-17-9
CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
IUPAC Name: dimethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: CC1=C(NC(=C1C(=O)OC)C)C(=O)OC
Structure:
CAS RN: 5445-30-7
CAS Name: 1-butyl-1-cyclohexanol
OPENEYE Name: 1-butylcyclohexanol
IUPAC Name: 1-butylcyclohexan-1-ol
SYSTEMATIC NAME: 1-butylcyclohexan-1-ol
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CCCCC1(CCCCC1)O
Structure:
CAS RN: 5445-24-9
CAS Name: 1-propyl-1-cyclohexanol
OPENEYE Name: 1-propylcyclohexanol
IUPAC Name: 1-propylcyclohexan-1-ol
SYSTEMATIC NAME: 1-propylcyclohexan-1-ol
MOLECULAR FORMULA: C9H18O
MOLECULAR WEIGHT: 142.23862
SMILES: CCCC1(CCCCC1)O
Structure:
CAS RN: 5443-16-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H12O3
MOLECULAR WEIGHT: 276.28608
SMILES: C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)OC4=O
Structure:
CAS RN: 5442-92-2
CAS Name: 5-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
IUPAC Name: ethyl 5-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C19H26N2O4
MOLECULAR WEIGHT: 346.42074
SMILES: CCOC(=O)C1=C(NC(=C1C)CC2=C(C(=C(N2)C)C(=O)OCC)C)C
Structure:
CAS RN: 5442-35-3
CAS Name: 2,6-ditert-butyl-4-ethoxyphenol
OPENEYE Name: 2,6-ditert-butyl-4-ethoxy-phenol
IUPAC Name: 2,6-ditert-butyl-4-ethoxyphenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-ethoxy-phenol
MOLECULAR FORMULA: C16H26O2
MOLECULAR WEIGHT: 250.37644
SMILES: CCOC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Structure:
CAS RN: 5438-19-7
CAS Name: 4-propoxybenzoic acid
OPENEYE Name: 4-propoxybenzoic acid
IUPAC Name: 4-propoxybenzoic acid
SYSTEMATIC NAME: 4-propoxybenzoic acid
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: CCCOC1=CC=C(C=C1)C(=O)O
Structure:
CAS RN: 5433-01-2
CAS Name: 1-bromo-3-propan-2-ylbenzene
OPENEYE Name: 1-bromo-3-isopropyl-benzene
IUPAC Name: 1-bromo-3-propan-2-ylbenzene
SYSTEMATIC NAME: 1-bromanyl-3-propan-2-yl-benzene
MOLECULAR FORMULA: C9H11Br
MOLECULAR WEIGHT: 199.08764
SMILES: CC(C)C1=CC(=CC=C1)Br
Structure:
CAS RN: 5432-07-5
CAS Name: 3-(4-methoxyphenyl)-2-phenyl-2-propenenitrile
OPENEYE Name: 3-(4-methoxyphenyl)-2-phenyl-prop-2-enenitrile
IUPAC Name: 3-(4-methoxyphenyl)-2-phenylprop-2-enenitrile
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-2-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C16H13NO
MOLECULAR WEIGHT: 235.28052
SMILES: COC1=CC=C(C=C1)C=C(C#N)C2=CC=CC=C2
Structure:
CAS RN: 5424-25-9
CAS Name: ethyl(triphenyl)stannane
OPENEYE Name: ethyl(triphenyl)stannane
IUPAC Name: ethyl(triphenyl)stannane
SYSTEMATIC NAME: ethyl(triphenyl)stannane
MOLECULAR FORMULA: C20H20Sn
MOLECULAR WEIGHT: 379.0828
SMILES: CC[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 5423-24-5
CAS Name: 2-[cyanomethyl(methyl)amino]acetonitrile
OPENEYE Name: 2-[cyanomethyl(methyl)amino]acetonitrile
IUPAC Name: 2-[cyanomethyl(methyl)amino]acetonitrile
SYSTEMATIC NAME: 2-[cyanomethyl(methyl)amino]ethanenitrile
MOLECULAR FORMULA: C5H7N3
MOLECULAR WEIGHT: 109.12918
SMILES: CN(CC#N)CC#N
Structure:
CAS RN: 5422-89-9
CAS Name: 5-(hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 5-(hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
IUPAC Name: diethyl 5-(hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
SYSTEMATIC NAME: diethyl 5-(hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
MOLECULAR FORMULA: C12H17NO5
MOLECULAR WEIGHT: 255.26708
SMILES: CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CO
Structure:
CAS RN: 5422-52-6
CAS Name: 2-pentylheptanoic acid
OPENEYE Name: 2-pentylheptanoic acid
IUPAC Name: 2-pentylheptanoic acid
SYSTEMATIC NAME: 2-pentylheptanoic acid
MOLECULAR FORMULA: C12H24O2
MOLECULAR WEIGHT: 200.31776
SMILES: CCCCCC(CCCCC)C(=O)O
Structure:
CAS RN: 5422-45-7
CAS Name: N,N-dimethyl-2H-tetrazol-5-amine
OPENEYE Name: N,N-dimethyl-2H-tetrazol-5-amine
IUPAC Name: N,N-dimethyl-2H-tetrazol-5-amine
SYSTEMATIC NAME: N,N-dimethyl-2H-1,2,3,4-tetrazol-5-amine
MOLECULAR FORMULA: C3H7N5
MOLECULAR WEIGHT: 113.12118
SMILES: CN(C)C1=NNN=N1
Structure:
CAS RN: 5422-44-6
CAS Name: 1-methyl-5-tetrazolamine
OPENEYE Name: 1-methyltetrazol-5-amine
IUPAC Name: 1-methyltetrazol-5-amine
SYSTEMATIC NAME: 1-methyl-1,2,3,4-tetrazol-5-amine
MOLECULAR FORMULA: C2H5N5
MOLECULAR WEIGHT: 99.0946
SMILES: CN1C(=NN=N1)N
Structure:
CAS RN: 5418-86-0
CAS Name: tris(methylthio)methane
OPENEYE Name: tris(methylsulfanyl)methane
IUPAC Name: tris(methylsulfanyl)methane
SYSTEMATIC NAME: tris(methylsulfanyl)methane
MOLECULAR FORMULA: C4H10S3
MOLECULAR WEIGHT: 154.3172
SMILES: CSC(SC)SC
Structure:
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