Molecule ID: 90659844

IUPAC Name: ethyl (4Z,7Z,10Z,13Z,16Z)-henicosa-4,7,10,13,16-pentaenoate

Description: The molecule is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (4Z,7Z,10Z,13Z,16Z)-henicosapentaenoic acid with the hydroxy group of ethanol.

SMILES: CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC

SELFIES: [C][C][C][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/C23H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-4-2/h7-8,10-11,13-14,16-17,19-20H,3-6,9,12,15,18,21-22H2,1-2H3/b8-7-,11-10-,14-13-,17-16-,20-19-

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 7.0