Molecule ID: 91828208

IUPAC Name: (18Z,21Z,24Z,27Z,30Z)-hexatriaconta-18,21,24,27,30-pentaenoate

Description: The molecule is a polyunsaturated fatty acid anion that is the conjugate base of (18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoic acid.

SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)[O-]

SELFIES: [C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=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-1]

InChI: InChI=1S/C36H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-35H2,1H3,(H,37,38)/p-1/b7-6-,10-9-,13-12-,16-15-,19-18-

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 14.9