CAS RN: 4840-82-8
CAS Name: 1,1,1,3,3-pentadeuterio-2-hexanone
OPENEYE Name: 1,1,1,3,3-pentadeuteriohexan-2-one
IUPAC Name: 1,1,1,3,3-pentadeuteriohexan-2-one
SYSTEMATIC NAME: 1,1,1,3,3-pentadeuteriohexan-2-one
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 105.189689
SMILES: [2H]C([2H])([2H])C(=O)C([2H])([2H])CCC
Structure:
CAS RN: 4840-81-7
CAS Name: 1,1,1,3,3-pentadeuterio-4-methyl-2-pentanone
OPENEYE Name: 1,1,1,3,3-pentadeuterio-4-methyl-pentan-2-one
IUPAC Name: 1,1,1,3,3-pentadeuterio-4-methylpentan-2-one
SYSTEMATIC NAME: 1,1,1,3,3-pentadeuterio-4-methyl-pentan-2-one
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 105.189689
SMILES: [2H]C([2H])([2H])C(=O)C([2H])([2H])C(C)C
Structure:
CAS RN: 4840-12-4
CAS Name: N,N-dimethyl-1-cyclopentenamine
OPENEYE Name: N,N-dimethylcyclopenten-1-amine
IUPAC Name: N,N-dimethylcyclopenten-1-amine
SYSTEMATIC NAME: N,N-dimethylcyclopenten-1-amine
MOLECULAR FORMULA: C7H13N
MOLECULAR WEIGHT: 111.18482
SMILES: CN(C)C1=CCCC1
Structure:
CAS RN: 4838-96-4
CAS Name: N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine
OPENEYE Name: N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine
IUPAC Name: N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine
SYSTEMATIC NAME: N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine
MOLECULAR FORMULA: C12H19NO3
MOLECULAR WEIGHT: 225.28416
SMILES: CNCCC1=CC(=C(C(=C1)OC)OC)OC
Structure:
CAS RN: 4838-00-0
CAS Name: 2-methylindazole
OPENEYE Name: 2-methylindazole
IUPAC Name: 2-methylindazole
SYSTEMATIC NAME: 2-methylindazole
MOLECULAR FORMULA: C8H8N2
MOLECULAR WEIGHT: 132.16252
SMILES: CN1C=C2C=CC=CC2=N1
Structure:
CAS RN: 4837-90-5
CAS Name: 4-methoxy-1H-indole
OPENEYE Name: 4-methoxy-1H-indole
IUPAC Name: 4-methoxy-1H-indole
SYSTEMATIC NAME: 4-methoxy-1H-indole
MOLECULAR FORMULA: C9H9NO
MOLECULAR WEIGHT: 147.17386
SMILES: COC1=CC=CC2=C1C=CN2
Structure:
CAS RN: 4819-82-3
CAS Name: 2-(2-methoxyethoxy)oxane
OPENEYE Name: 2-(2-methoxyethoxy)tetrahydropyran
IUPAC Name: 2-(2-methoxyethoxy)oxane
SYSTEMATIC NAME: 2-(2-methoxyethoxy)oxane
MOLECULAR FORMULA: C8H16O3
MOLECULAR WEIGHT: 160.21084
SMILES: COCCOC1CCCCO1
Structure:
CAS RN: 4815-44-5
CAS Name: 1-amino-2,5-dimethylpyrrole-3,4-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 1-amino-2,5-dimethyl-pyrrole-3,4-dicarboxylate
IUPAC Name: diethyl 1-amino-2,5-dimethylpyrrole-3,4-dicarboxylate
SYSTEMATIC NAME: diethyl 1-azanyl-2,5-dimethyl-pyrrole-3,4-dicarboxylate
MOLECULAR FORMULA: C12H18N2O4
MOLECULAR WEIGHT: 254.28232
SMILES: CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)N)C
Structure:
CAS RN: 4814-79-3
CAS Name: N'-butan-2-ylethane-1,2-diamine
OPENEYE Name: N'-sec-butylethane-1,2-diamine
IUPAC Name: N'-butan-2-ylethane-1,2-diamine
SYSTEMATIC NAME: N'-butan-2-ylethane-1,2-diamine
MOLECULAR FORMULA: C6H16N2
MOLECULAR WEIGHT: 116.20464
SMILES: CCC(C)NCCN
Structure:
CAS RN: 4806-62-6
CAS Name: propylcyclobutane
OPENEYE Name: propylcyclobutane
IUPAC Name: propylcyclobutane
SYSTEMATIC NAME: propylcyclobutane
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CCCC1CCC1
Structure:
CAS RN: 4796-68-3
CAS Name: benzoic acid 7-bicyclo[2.2.1]hepta-2,5-dienyl ester
OPENEYE Name: 7-bicyclo[2.2.1]hepta-2,5-dienyl benzoate
IUPAC Name: 7-bicyclo[2.2.1]hepta-2,5-dienyl benzoate
SYSTEMATIC NAME: 7-bicyclo[2.2.1]hepta-2,5-dienyl benzoate
MOLECULAR FORMULA: C14H12O2
MOLECULAR WEIGHT: 212.24388
SMILES: C1=CC=C(C=C1)C(=O)OC2C3C=CC2C=C3
Structure:
CAS RN: 4793-98-0
CAS Name: 1,4,5,8-tetranitronaphthalene
OPENEYE Name: 1,4,5,8-tetranitronaphthalene
IUPAC Name: 1,4,5,8-tetranitronaphthalene
SYSTEMATIC NAME: 1,4,5,8-tetranitronaphthalene
MOLECULAR FORMULA: C10H4N4O8
MOLECULAR WEIGHT: 308.16076
SMILES: C1=CC(=C2C(=CC=C(C2=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 4792-31-8
CAS Name: 3,3-bis(phenylthio)-1-isobenzofuranone
OPENEYE Name: 3,3-bis(phenylsulfanyl)isobenzofuran-1-one
IUPAC Name: 3,3-bis(phenylsulfanyl)-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis(phenylsulfanyl)-2-benzofuran-1-one
MOLECULAR FORMULA: C20H14O2S2
MOLECULAR WEIGHT: 350.45396
SMILES: C1=CC=C(C=C1)SC2(C3=CC=CC=C3C(=O)O2)SC4=CC=CC=C4
Structure:
CAS RN: 4789-70-2
CAS Name: 1-(ethenylthio)butane
OPENEYE Name: 1-vinylsulfanylbutane
IUPAC Name: 1-ethenylsulfanylbutane
SYSTEMATIC NAME: 1-ethenylsulfanylbutane
MOLECULAR FORMULA: C6H12S
MOLECULAR WEIGHT: 116.22448
SMILES: CCCCSC=C
Structure:
CAS RN: 4789-40-6
CAS Name: 2,5-ditert-butylfuran
OPENEYE Name: 2,5-ditert-butylfuran
IUPAC Name: 2,5-ditert-butylfuran
SYSTEMATIC NAME: 2,5-ditert-butylfuran
MOLECULAR FORMULA: C12H20O
MOLECULAR WEIGHT: 180.2866
SMILES: CC(C)(C)C1=CC=C(O1)C(C)(C)C
Structure:
CAS RN: 4789-34-8
CAS Name: 1,4-ditert-butylcyclohexane
OPENEYE Name: 1,4-ditert-butylcyclohexane
IUPAC Name: 1,4-ditert-butylcyclohexane
SYSTEMATIC NAME: 1,4-ditert-butylcyclohexane
MOLECULAR FORMULA: C14H28
MOLECULAR WEIGHT: 196.37212
SMILES: CC(C)(C)C1CCC(CC1)C(C)(C)C
Structure:
CAS RN: 4789-35-9
CAS Name: 1,4-ditert-butylcyclohexane
OPENEYE Name: 1,4-ditert-butylcyclohexane
IUPAC Name: 1,4-ditert-butylcyclohexane
SYSTEMATIC NAME: 1,4-ditert-butylcyclohexane
MOLECULAR FORMULA: C14H28
MOLECULAR WEIGHT: 196.37212
SMILES: CC(C)(C)C1CCC(CC1)C(C)(C)C
Structure:
CAS RN: 4789-21-3
CAS Name: 2,2-dideuterioethenone
OPENEYE Name: 2,2-dideuterioethenone
IUPAC Name: 2,2-dideuterioethenone
SYSTEMATIC NAME: 2,2-dideuterioethenone
MOLECULAR FORMULA: C2H2O
MOLECULAR WEIGHT: 44.049004
SMILES: [2H]C(=C=O)[2H]
Structure:
CAS RN: 4784-86-5
CAS Name: 1,2-dimethylcyclopenta-1,3-diene
OPENEYE Name: 1,2-dimethylcyclopenta-1,3-diene
IUPAC Name: 1,2-dimethylcyclopenta-1,3-diene
SYSTEMATIC NAME: 1,2-dimethylcyclopenta-1,3-diene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: CC1=C(C=CC1)C
Structure:
CAS RN: 4773-89-1
CAS Name: 4,7-dihydroisobenzofuran-1,3-dione
OPENEYE Name: 4,7-dihydroisobenzofuran-1,3-dione
IUPAC Name: 4,7-dihydro-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4,7-dihydro-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C8H6O3
MOLECULAR WEIGHT: 150.13144
SMILES: C1C=CCC2=C1C(=O)OC2=O
Structure:
CAS RN: 4759-11-9
CAS Name: 11-oxabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
OPENEYE Name: 11-oxabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
IUPAC Name: 11-oxabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
SYSTEMATIC NAME: 11-oxabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
MOLECULAR FORMULA: C10H8O
MOLECULAR WEIGHT: 144.16992
SMILES: C1=CC=C2C=CC=CC(=C1)O2
Structure:
CAS RN: 4758-64-9
CAS Name: 3,5-dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3,5-dimethyl-4-propyl-1H-pyrrole-2-carboxylate
IUPAC Name: ethyl 3,5-dimethyl-4-propyl-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 3,5-dimethyl-4-propyl-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C12H19NO2
MOLECULAR WEIGHT: 209.28476
SMILES: CCCC1=C(NC(=C1C)C(=O)OCC)C
Structure:
CAS RN: 4756-05-2
CAS Name: propanethial
OPENEYE Name: propanethial
IUPAC Name: propanethial
SYSTEMATIC NAME: propanethial
MOLECULAR FORMULA: C3H6S
MOLECULAR WEIGHT: 74.14474
SMILES: CCC=S
Structure:
CAS RN: 4753-55-3
CAS Name: 11-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
OPENEYE Name: 11-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
IUPAC Name: 11-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
SYSTEMATIC NAME: 11-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: C1=CC=C2C=CC=CC(=C1)N2
Structure:
CAS RN: 4752-12-9
CAS Name: trideuterio-(methylthio)methane
OPENEYE Name: trideuterio(methylsulfanyl)methane
IUPAC Name: trideuterio(methylsulfanyl)methane
SYSTEMATIC NAME: trideuterio(methylsulfanyl)methane
MOLECULAR FORMULA: C2H6S
MOLECULAR WEIGHT: 65.152525
SMILES: [2H]C([2H])([2H])SC
Structure:
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