3-carboxysulfanylbenzoic acid

Systemtic Name: 3-carboxysulfanylbenzoic acid Openeye Name: 3-carboxysulfanylbenzoic acid CAS Name: 3-(carboxythio)benzoic acid IUPAC Name: 3-carboxysulfanylbenzoic acid Traditional Name: 3-(carboxythio)benzoic acid Formula: C8H6O4S MolecularWeight: 198.19584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)SC(=O)O)C(=O)O

InChI

InChI=1S/C8H6O4S/c9-7(10)5-2-1-3-6(4-5)13-8(11)12/h1-4H,(H,9,10)(H,11,12)