Molecule ID: 54730540

IUPAC Name: 4-carboxy-2-[(2E)-3,7-dimethylocta-2,6-dienyl]phenolate

Description: The molecule is a hydroxybenzoate having the hydroxy group at the 4-position together with a geranyl group at the 3-position; major species at pH 7.3. It is a conjugate base of a 3-geranyl-4-hydroxybenzoic acid.

SMILES: CC(C)=CCC/C(C)=C/Cc1cc(C(=O)O)ccc1[O-]

SELFIES: [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][O-1]

InChI: InChI=1S/C17H22O3/c1-12(2)5-4-6-13(3)7-8-14-11-15(17(19)20)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3,(H,19,20)/p-1/b13-7+

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 5.5