Molecule ID: 122391306

IUPAC Name: (8R,9E,11Z,14Z)-8-hydroperoxyicosa-9,11,14-trienoic acid

Description: The molecule is a hydroperoxyicosatrienoic acid that is (9E,11Z,14Z)-icosatrienoic acid in which the hydroperoxy substituent is located at position 8R. It derives from an all-cis-icosa-8,11,14-trienoic acid. It is a conjugate acid of an (8R,9E,11Z,14Z)-8-hydroperoxyicosatrienoate.

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

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

InChI: InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-10,13,16,19,23H,2-5,8,11-12,14-15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,16-13+/t19-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 5.8