Molecule ID: 5461139

IUPAC Name: (Z)-octadec-9-en-12-ynoate

Description: The molecule is a long-chain fatty acid anion and the conjugate base of crepenynic acid, arising from deprotonation of the carboxylic acid group. It is a long-chain fatty acid anion, a straight-chain fatty acid anion and an unsaturated fatty acid anion. It is a conjugate base of a (9Z)-octadec-9-en-12-ynoic acid.

SMILES: CCCCCC#CC/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-1]

InChI: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b10-9-

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 7.0