Molecule ID: 21993141

IUPAC Name: 9,10-dihydroxyoctadecanoate

Description: The molecule is a long-chain fatty acid anion that is the conjugate base of 9,10-dihydroxystearic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a long-chain fatty acid anion and a hydroxy fatty acid anion. It is a conjugate base of a 9,10-dihydroxyoctadecanoic acid.

SMILES: CCCCCCCCC(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-1]

InChI: InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 5.8