Molecule ID: 121232681

IUPAC Name: 2-(6-carboxy-2-methylheptoxy)carbonylbenzoic acid

Description: The molecule is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 7-hydroxy-2,6-dimethylheptanoic acid. It is a dicarboxylic acid and a phthalic acid monoester.

SMILES: CC(CCCC(C)C(=O)O)COC(=O)c1ccccc1C(=O)O

SELFIES: [C][C][Branch1][=N][C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C17H22O6/c1-11(6-5-7-12(2)15(18)19)10-23-17(22)14-9-4-3-8-13(14)16(20)21/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H,18,19)(H,20,21)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 3.4