Molecule ID: 86583341

IUPAC Name: (E)-9-hydroperoxyoctadec-10-enoate

Description: The molecule is a hydroperoxy fatty acid anion resulting from the deprotonation of the carboxy group of 9-hydroperoxy-10E-octadecenoic acid. The major species at pH 7.3. It is a conjugate base of a 9-hydroperoxy-10E-octadecenoic acid.

SMILES: CCCCCCC/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-1][O][O]

InChI: InChI=1S/C18H34O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b14-11+

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 6.5