2-(3-methylsulfanyl-4-methylsulfonyl-phenyl)ethanoic acid

Systemtic Name: 2-(3-methylsulfanyl-4-methylsulfonyl-phenyl)ethanoic acid Openeye Name: 2-(3-methylsulfanyl-4-methylsulfonyl-phenyl)acetic acid CAS Name: 2-[4-methylsulfonyl-3-(methylthio)phenyl]acetic acid IUPAC Name: 2-(3-methylsulfanyl-4-methylsulfonylphenyl)acetic acid Traditional Name: 2-[4-mesyl-3-(methylthio)phenyl]acetic acid Formula: C10H12O4S2 MolecularWeight: 260.32988

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CSC1=C(C=CC(=C1)CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C10H12O4S2/c1-15-8-5-7(6-10(11)12)3-4-9(8)16(2,13)14/h3-5H,6H2,1-2H3,(H,11,12)