2-(4-ethylsulfonylphenyl)sulfanylpropanoic acid

Systemtic Name: 2-(4-ethylsulfonylphenyl)sulfanylpropanoic acid Openeye Name: 2-(4-ethylsulfonylphenyl)sulfanylpropanoic acid CAS Name: 2-[(4-ethylsulfonylphenyl)thio]propanoic acid IUPAC Name: 2-(4-ethylsulfonylphenyl)sulfanylpropanoic acid Traditional Name: 2-[(4-esylphenyl)thio]propionic acid Formula: C11H14O4S2 MolecularWeight: 274.35646

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)SC(C)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)SC(C)C(=O)O

InChI

InChI=1S/C11H14O4S2/c1-3-17(14,15)10-6-4-9(5-7-10)16-8(2)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)