Molecule ID: 40490648

IUPAC Name: (9Z,11E)-13-oxooctadeca-9,11-dienoate

Description: The molecule is a polyunsaturated fatty acid anion that is the conjugate base of 13-oxo-9Z,11E-ODE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a long-chain fatty acid anion, a polyunsaturated fatty acid anion, an oxo fatty acid anion and an oxooctadecadienoate. It is a conjugate base of a 13-oxo-9Z,11E-ODE.

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

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

InChI: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/p-1/b9-7-,15-12+

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 5.9