Molecule ID: 91666450

IUPAC Name: (Z)-12-phosphonatooxyoctadec-9-enoate

Description: The molecule is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of (9Z)-12-(phosphonooxy)octadecenoic acid; major species at pH 7.3. It is a conjugate base of a (9Z)-12-(phosphonooxy)octadecenoic acid.

SMILES: CCCCCCC(C/C=C\CCCCCCCC(=O)[O-])OP(=O)([O-])[O-]

SELFIES: [C][C][C][C][C][C][C][Branch1][S][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

InChI: InChI=1S/C18H35O6P/c1-2-3-4-11-14-17(24-25(21,22)23)15-12-9-7-5-6-8-10-13-16-18(19)20/h9,12,17H,2-8,10-11,13-16H2,1H3,(H,19,20)(H2,21,22,23)/p-3/b12-9-

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 5.1