3-(2-methylsulfonylphenyl)sulfanylpropanoic acid

Systemtic Name: 3-(2-methylsulfonylphenyl)sulfanylpropanoic acid Openeye Name: 3-(2-methylsulfonylphenyl)sulfanylpropanoic acid CAS Name: 3-[(2-methylsulfonylphenyl)thio]propanoic acid IUPAC Name: 3-(2-methylsulfonylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(2-mesylphenyl)thio]propionic acid Formula: C10H12O4S2 MolecularWeight: 260.32988

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1SCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1SCCC(=O)O

InChI

InChI=1S/C10H12O4S2/c1-16(13,14)9-5-3-2-4-8(9)15-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)