Molecule ID: 91820460

IUPAC Name: (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

Description: The molecule is a hexadecatrienoate that is the conjugate base of (7Z,10Z,13Z)-hexadecatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an all-cis-7,10,13-hexadecatrienoic acid.

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

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

InChI: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/p-1/b4-3-,7-6-,10-9-

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 5.5