Molecule ID: 5282796

IUPAC Name: (9E,11E)-octadeca-9,11-dienoic acid

Description: The molecule is an octadeca-9,11-dienoic acid having 9-trans,11-trans-stereochemistry. It has a role as an apoptosis inducer, an antineoplastic agent, an anti-inflammatory agent, an antiatherogenic agent, a bacterial xenobiotic metabolite and a human metabolite.

SMILES: CCCCCC/C=C/C=C/CCCCCCCC(=O)O

SELFIES: [C][C][C][C][C][C][/C][=C][/C][=C][/C][C][C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9+

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 7.1