Molecule ID: 5460678

IUPAC Name: 4-sulfonatobenzoate

Description: The molecule is a doubly-charged sulfonatobenzoate consisting of benzoate having a sufonato group at the 4-position. It derives from a benzoate. It is a conjugate base of a 4-sulfobenzoic acid.

SMILES: O=C([O-])c1ccc(S(=O)(=O)[O-])cc1

SELFIES: [O][=C][Branch1][C][O-1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2]

InChI: InChI=1S/C7H6O5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)/p-2

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: 0.7