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

Systemtic Name: 5-(4-methoxyphenyl)-2-octyl-4,4-bis(oxidanyl)pyrazol-3-one Openeye Name: 4,4-dihydroxy-5-(4-methoxyphenyl)-2-octyl-pyrazol-3-one CAS Name: 4,4-dihydroxy-5-(4-methoxyphenyl)-2-octyl-3-pyrazolone IUPAC Name: 4,4-dihydroxy-5-(4-methoxyphenyl)-2-octylpyrazol-3-one Traditional Name: 4,4-dihydroxy-5-(4-methoxyphenyl)-2-octyl-2-pyrazolin-3-one Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-3-4-5-6-7-8-13-20-17(21)18(22,23)16(19-20)14-9-11-15(24-2)12-10-14/h9-12,22-23H,3-8,13H2,1-2H3