2-methyl-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid

Systemtic Name: 2-methyl-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid Openeye Name: 2-methyl-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid CAS Name: 2-methyl-3-[4-(phenylthio)phenyl]sulfonylpropanoic acid IUPAC Name: 2-methyl-3-(4-phenylsulfanylphenyl)sulfonylpropanoic acid Traditional Name: 2-methyl-3-[4-(phenylthio)phenyl]sulfonyl-propionic acid Formula: C16H16O4S2 MolecularWeight: 336.42584

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H16O4S2/c1-12(16(17)18)11-22(19,20)15-9-7-14(8-10-15)21-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,17,18)