Molecule ID: 9966640

IUPAC Name: (Z)-9,10-dihydroxyoctadec-12-enoic acid

Description: The molecule is a DiHOME obtained by formal dihydroxylation of the 9,10-double bond of octadeca-9,12-dienoic acid (the 12Z-geoisomer). It is a conjugate acid of a 9,10-DiHOME(1-).

SMILES: CCCCC/C=C\CC(O)C(O)CCCCCCCC(=O)O

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

InChI: InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7-

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 4.6