Molecule ID: 90658377

IUPAC Name: 4,6-dichloro-2-(4-hydroxy-2-methoxy-6-methoxycarbonylbenzoyl)-5-methylbenzene-1,3-diolate

Description: The molecule is a phenolate anion obtained by deprotonation of the two phenolic hydroxy groups at positions 2 and 6 of dihydrogeodin. It is the major species at pH 7.3. It is a conjugate base of a dihydrogeodin.

SMILES: COC(=O)c1cc([O-])cc(OC)c1C(=O)c1c([O-])c(Cl)c(C)c(Cl)c1O

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

InChI: InChI=1S/C17H14Cl2O7/c1-6-12(18)15(22)11(16(23)13(6)19)14(21)10-8(17(24)26-3)4-7(20)5-9(10)25-2/h4-5,20,22-23H,1-3H3/p-2

Molecular Properties:
- Polar Surface Area: 119.0 Ų
- LogP: 4.9