2-methylsulfonyl-3-phenylsulfanyl-benzoic acid

Systemtic Name: 2-methylsulfonyl-3-phenylsulfanyl-benzoic acid Openeye Name: 2-methylsulfonyl-3-phenylsulfanyl-benzoic acid CAS Name: 2-methylsulfonyl-3-(phenylthio)benzoic acid IUPAC Name: 2-methylsulfonyl-3-phenylsulfanylbenzoic acid Traditional Name: 2-mesyl-3-(phenylthio)benzoic acid Formula: C14H12O4S2 MolecularWeight: 308.37268

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC=C1SC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC=C1SC2=CC=CC=C2)C(=O)O

InChI

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