Molecule ID: 25244639

IUPAC Name: (9Z,11E,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate

Description: The molecule is a hydroperoxyoctadecatrienoate that is the conjugate base of (9Z,11E,15Z)-13-hydroperoxyoctadecatrienoic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3. It is a conjugate base of a (9Z,11E,15Z)-13-hydroperoxyoctadecatrienoic acid.

SMILES: CC/C=C\CC(/C=C/C=C\CCCCCCCC(=O)[O-])OO

SELFIES: [C][C][/C][=C][\C][C][Branch1][P][/C][=C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1][O][O]

InChI: InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/p-1/b9-7-,11-3-,15-12+

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 5.5