Molecule ID: 181977

IUPAC Name: phthalate

Description: The molecule is a phthalate that is the dianion obtained by the deprotonation of both the carboxy groups of phthalic acid. It has a role as a human xenobiotic metabolite. It is a conjugate base of a phthalate(1-).

SMILES: O=C([O-])c1ccccc1C(=O)[O-]

SELFIES: [O][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2

Molecular Properties:
- Polar Surface Area: 80.3 Ų
- LogP: 2.0