Molecule ID: 9548586

IUPAC Name: (9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienoate

Description: The molecule is the conjugate base of (9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienic acid. It derives from a (9Z,11E,14Z)-octadeca-9,11,14-trienoate. It is a conjugate base of a (9Z,11E,13S,14Z)-13-hydroperoxyoctadecatrienoic acid.

SMILES: CCC/C=C\[C@@H](/C=C/C=C\CCCCCCCC(=O)[O-])OO

SELFIES: [C][C][C][/C][=C][\C@@H1][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/h7,9,11-12,14-15,17,21H,2-6,8,10,13,16H2,1H3,(H,19,20)/p-1/b9-7-,14-11-,15-12+/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 5.7