Molecule ID: 5282184

IUPAC Name: ethyl (9Z,12Z)-octadeca-9,12-dienoate

Description: The molecule is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of linoleic acid with the hydroxy group of ethanol. It has a role as a plant metabolite and an anti-inflammatory agent. It derives from a linoleic acid.

SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC

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

InChI: InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 7.3