2-(4-methylsulfonylphenyl)sulfanylethanoic acid

Systemtic Name: 2-(4-methylsulfonylphenyl)sulfanylethanoic acid Openeye Name: 2-(4-methylsulfonylphenyl)sulfanylacetic acid CAS Name: 2-[(4-methylsulfonylphenyl)thio]acetic acid IUPAC Name: 2-(4-methylsulfonylphenyl)sulfanylacetic acid Traditional Name: 2-[(4-mesylphenyl)thio]acetic acid Formula: C9H10O4S2 MolecularWeight: 246.3033

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)SCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)SCC(=O)O

InChI

InChI=1S/C9H10O4S2/c1-15(12,13)8-4-2-7(3-5-8)14-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)