4,5-dimethyl-2-octanoyl-4H-pyrazol-3-one

Systemtic Name: 4,5-dimethyl-2-octanoyl-4H-pyrazol-3-one Openeye Name: 4,5-dimethyl-2-octanoyl-4H-pyrazol-3-one CAS Name: 4,5-dimethyl-2-(1-oxooctyl)-4H-pyrazol-3-one IUPAC Name: 4,5-dimethyl-2-octanoyl-4H-pyrazol-3-one Traditional Name: 2-caprylyl-4,5-dimethyl-2-pyrazolin-3-one Formula: C13H22N2O2 MolecularWeight: 238.32598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1C(=O)C(C(=N1)C)C

Isomeric SMILES

CCCCCCCC(=O)N1C(=O)C(C(=N1)C)C

InChI

InChI=1S/C13H22N2O2/c1-4-5-6-7-8-9-12(16)15-13(17)10(2)11(3)14-15/h10H,4-9H2,1-3H3