2-(4-methylsulfanylphenyl)sulfonylbutanoic acid

Systemtic Name: 2-(4-methylsulfanylphenyl)sulfonylbutanoic acid Openeye Name: 2-(4-methylsulfanylphenyl)sulfonylbutanoic acid CAS Name: 2-[4-(methylthio)phenyl]sulfonylbutanoic acid IUPAC Name: 2-(4-methylsulfanylphenyl)sulfonylbutanoic acid Traditional Name: 2-[4-(methylthio)phenyl]sulfonylbutyric acid Formula: C11H14O4S2 MolecularWeight: 274.35646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

CCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)SC

InChI

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