Molecule ID: 138756157

IUPAC Name: (9Z,11E)-9-hydroperoxyoctadeca-9,11-dienoic acid

Description: The molecule is a hydroperoxy fatty acid that is (9E,11E)-octadeca-9,11-dienoic acid carrying a hydroperoxy group at position 9. It is a lipid hydroperoxide, a hydroperoxy fatty acid, a long-chain fatty acid and a polyunsaturated fatty acid. It derives from a 9E,11E-octadecadienoic acid.

SMILES: CCCCCC/C=C/C=C(/CCCCCCCC(=O)O)OO

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

InChI: InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h8,11,14,21H,2-7,9-10,12-13,15-16H2,1H3,(H,19,20)/b11-8+,17-14-

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 5.9