Molecule ID: 341

IUPAC Name: 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoic acid

Description: The molecule is a benzoate ester and a gallate ester. It derives from a gallic acid. It is a conjugate acid of a digallate.

SMILES: O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1

SELFIES: [O][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)

Molecular Properties:
- Polar Surface Area: 165.0 Ų
- LogP: 1.1