4-sulfocarbonylbenzoate

Systemtic Name: 4-sulfocarbonylbenzoate Openeye Name: 4-sulfocarbonylbenzoate CAS Name: 4-[oxo(sulfo)methyl]benzoate IUPAC Name: 4-sulfocarbonylbenzoate Traditional Name: 4-sulfocarbonylbenzoate Formula: C8H5O6S- MolecularWeight: 229.1867

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])C(=O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])C(=O)S(=O)(=O)O

InChI

InChI=1S/C8H6O6S/c9-7(10)5-1-3-6(4-2-5)8(11)15(12,13)14/h1-4H,(H,9,10)(H,12,13,14)/p-1