2-octyl-4,4-bis(oxidanyl)-5-phenyl-pyrazol-3-one

Systemtic Name: 2-octyl-4,4-bis(oxidanyl)-5-phenyl-pyrazol-3-one Openeye Name: 4,4-dihydroxy-2-octyl-5-phenyl-pyrazol-3-one CAS Name: 4,4-dihydroxy-2-octyl-5-phenyl-3-pyrazolone IUPAC Name: 4,4-dihydroxy-2-octyl-5-phenylpyrazol-3-one Traditional Name: 4,4-dihydroxy-2-octyl-5-phenyl-2-pyrazolin-3-one Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(C(=N1)C2=CC=CC=C2)(O)O

Isomeric SMILES

CCCCCCCCN1C(=O)C(C(=N1)C2=CC=CC=C2)(O)O

InChI

InChI=1S/C17H24N2O3/c1-2-3-4-5-6-10-13-19-16(20)17(21,22)15(18-19)14-11-8-7-9-12-14/h7-9,11-12,21-22H,2-6,10,13H2,1H3