Molecule ID: 5281026

IUPAC Name: (9Z,11S,12Z)-11-hydroperoxyoctadeca-9,12-dienoic acid

Description: The molecule is the 11-hydroperoxy derivative of linoleic acid having (S)-configuration. It derives from a linoleic acid. It is a conjugate acid of an (11S)-11-hydroperoxylinoleate. It is an enantiomer of an (11R)-11-hydroperoxylinoleic acid.

SMILES: CCCCC/C=C\[C@@H](/C=C\CCCCCCCC(=O)O)OO

SELFIES: [C][C][C][C][C][/C][=C][\C@@H1][Branch1][#C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][O][O]

InChI: InChI=1S/C18H32O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H,19,20)/b14-11-,15-12-/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 5.5