Molecule ID: 25245649

IUPAC Name: (E)-9-[(1E,3Z,6Z)-nona-1,3,6-trienoxy]non-8-enoate

Description: The molecule is a oxa fatty acid anion and the conjugate base of colnelenic acid, arising from deprotonation of the carboxylic acid group. It is a straight-chain fatty acid anion, a long-chain fatty acid anion, an oxa fatty acid anion and a polyunsaturated fatty acid anion. It is a conjugate base of a colnelenic acid.

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

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

InChI: InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/p-1/b4-3-,10-7-,16-13+,17-14+

Molecular Properties:
- Polar Surface Area: 49.4 Ų
- LogP: 5.8