2-(2-methylsulfonylphenyl)sulfanylbenzoic acid

Systemtic Name: 2-(2-methylsulfonylphenyl)sulfanylbenzoic acid Openeye Name: 2-(2-methylsulfonylphenyl)sulfanylbenzoic acid CAS Name: 2-[(2-methylsulfonylphenyl)thio]benzoic acid IUPAC Name: 2-(2-methylsulfonylphenyl)sulfanylbenzoic acid Traditional Name: 2-[(2-mesylphenyl)thio]benzoic acid Formula: C14H12O4S2 MolecularWeight: 308.37268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H12O4S2/c1-20(17,18)13-9-5-4-8-12(13)19-11-7-3-2-6-10(11)14(15)16/h2-9H,1H3,(H,15,16)