Molecule ID: 121232680

IUPAC Name: 2-(7-carboxy-2-methyloctoxy)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 8-hydroxy-2,7-dimethyloctanoic acid. It is a dicarboxylic acid and a phthalic acid monoester.

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

SELFIES: [C][C][Branch1][=C][C][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/C18H24O6/c1-12(7-3-4-8-13(2)16(19)20)11-24-18(23)15-10-6-5-9-14(15)17(21)22/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,19,20)(H,21,22)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 4.0