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

Systemtic Name: 5-(4-chlorophenyl)-2-octyl-4,4-bis(oxidanyl)pyrazol-3-one Openeye Name: 5-(4-chlorophenyl)-4,4-dihydroxy-2-octyl-pyrazol-3-one CAS Name: 5-(4-chlorophenyl)-4,4-dihydroxy-2-octyl-3-pyrazolone IUPAC Name: 5-(4-chlorophenyl)-4,4-dihydroxy-2-octylpyrazol-3-one Traditional Name: 5-(4-chlorophenyl)-4,4-dihydroxy-2-octyl-2-pyrazolin-3-one Formula: C17H23ClN2O3 MolecularWeight: 338.82912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O3/c1-2-3-4-5-6-7-12-20-16(21)17(22,23)15(19-20)13-8-10-14(18)11-9-13/h8-11,22-23H,2-7,12H2,1H3