Molecule ID: 118796922

IUPAC Name: (Z,12R)-12,18-dihydroxyoctadec-9-enoate

Description: The molecule is a hydroxy fatty acid anion that is the conjugate base of (9Z,12R)-12,18-dihydroxyoctadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an omega-hydroxy fatty acid anion, a long-chain fatty acid anion and a hydroxy monounsaturated fatty acid anion. It is a conjugate base of a (9Z,12R)-12,18-dihydroxyoctadecenoic acid.

SMILES: O=C([O-])CCCCCCC/C=C\C[C@H](O)CCCCCCO

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][C][C][C][C][/C][=C][\C][C@H1][Branch1][C][O][C][C][C][C][C][C][O]

InChI: InChI=1S/C18H34O4/c19-16-12-8-7-10-14-17(20)13-9-5-3-1-2-4-6-11-15-18(21)22/h5,9,17,19-20H,1-4,6-8,10-16H2,(H,21,22)/p-1/b9-5-/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 4.8