Molecule ID: 86583408

IUPAC Name: 4-carboxy-2-methoxy-6-(3-methylbut-2-enyl)phenolate

Description: The molecule is the hydroxybenzoate anion formed by loss of a proton from the carboxy group of 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoic acid. The major species present at pH 7.3. It is a hydroxybenzoate and a methoxybenzoate. It is a conjugate base of a 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoic acid.

SMILES: COc1cc(C(=O)O)cc(CC=C(C)C)c1[O-]

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

InChI: InChI=1S/C13H16O4/c1-8(2)4-5-9-6-10(13(15)16)7-11(17-3)12(9)14/h4,6-7,14H,5H2,1-3H3,(H,15,16)/p-1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 3.6