Molecule ID: 9543633

IUPAC Name: (9Z,12Z)-octadeca-9,12-dien-6-ynoic acid

Description: The molecule is a straight-chain polyunsaturated fatty acid composed of eighteen carbons and containing two double bonds, both with Z-geochemistry, at positions 9 and 12 as well as a triple bond at position 6. It is a polyunsaturated fatty acid, an acetylenic fatty acid, an olefinic fatty acid, a long-chain fatty acid and a straight-chain fatty acid.

SMILES: CCCCC/C=C\C/C=C\CC#CCCCCC(=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/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 5.6