Molecule ID: 99613

IUPAC Name: 4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoic acid

Description: The molecule is a benzoate ester. It derives from an o-orsellinic acid. It is a conjugate acid of an o-orsellinate depsidate(1-).

SMILES: Cc1cc(OC(=O)c2c(C)cc(O)cc2O)cc(O)c1C(=O)O

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

InChI: InChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21)

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: 3.6