Molecule ID: 54746225

IUPAC Name: 2-carboxy-6-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-3-pentylphenolate

Description: The molecule is a dihydroxybenzoate that is the conjugate base of cannabinerolic acid, obtained by deprotonation of the carboxy group. It derives from an olivetolate. It is a conjugate base of a cannabinerolic acid.

SMILES: CCCCCc1cc([O-])c(C/C=C(/C)CCC=C(C)C)c(O)c1C(=O)O

SELFIES: [C][C][C][C][C][C][=C][C][Branch1][C][O-1][=C][Branch1][#C][C][/C][=C][Branch1][C][/C][C][C][C][=C][Branch1][C][C][C][C][Branch1][C][O][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/p-1/b16-12-

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 8.1