2-(2-methylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(2-methylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(2-methylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(2-methylsulfonylphenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2-methylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2-mesylphenyl)thio]nicotinic acid Formula: C13H11NO4S2 MolecularWeight: 309.36074

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H11NO4S2/c1-20(17,18)11-7-3-2-6-10(11)19-12-9(13(15)16)5-4-8-14-12/h2-8H,1H3,(H,15,16)