Molecule ID: 5461010

IUPAC Name: (Z)-octadec-6-enoate

Description: The molecule is an unsaturated fatty acid anion resulting from the deprotonation of the carboxy group of petroselinic acid. The major species at pH 7.3. It is a long-chain fatty acid anion, an unsaturated fatty acid anion and an octadecenoate. It is a conjugate base of a petroselinic acid.

SMILES: CCCCCCCCCCC/C=C\CCCCC(=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/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/p-1/b13-12-

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 7.9