Molecule ID: 5460412

IUPAC Name: (7S,8S,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoic acid

Description: The molecule is a dihydroxy monocarboxylic acid that is the 7(S),8(S)-dihydroxy derivative of linoleic acid. It is an octadecanoid and a dihydroxy monocarboxylic acid. It derives from a linoleic acid. It is a conjugate acid of a 7(S),8(S)-DiHODE(1-).

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

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

InChI: InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h6-7,10,13,16-17,19-20H,2-5,8-9,11-12,14-15H2,1H3,(H,21,22)/b7-6-,13-10-/t16-,17-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 3.9