Molecule ID: 14057236

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

Description: The molecule is a hydroperoxyoctadecatrienoic acid that is (9Z,11E,15Z)-octadecatrienoic acid which is substituted at position 13 by a hydroperoxy group. It is a conjugate acid of a (9Z,11E,15Z)-13-hydroperoxyoctadecatrienoate.

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][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)/b9-7-,11-3-,15-12+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 4.8