Molecule ID: 91666449

IUPAC Name: (Z)-12-phosphonooxyoctadec-9-enoic acid

Description: The molecule is a carboxyalkyl phosphate that is (9Z)-octadecenoic (oleic) acid carrying a phosphonooxy substituent at position 12. It derives from an oleic acid. It is a conjugate acid of a (9Z)-12-(phosphonooxy)octadecenoate(3-).

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][O][P][=Branch1][C][=O][Branch1][C][O][O]

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)/b12-9-

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 4.6