3-methyl-2-(4-methylphenyl)sulfonyl-butanoic acid

Systemtic Name: 3-methyl-2-(4-methylphenyl)sulfonyl-butanoic acid Openeye Name: 3-methyl-2-(p-tolylsulfonyl)butanoic acid CAS Name: 3-methyl-2-(4-methylphenyl)sulfonylbutanoic acid IUPAC Name: 3-methyl-2-(4-methylphenyl)sulfonylbutanoic acid Traditional Name: 3-methyl-2-tosyl-butyric acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C(C)C)C(=O)O

InChI

InChI=1S/C12H16O4S/c1-8(2)11(12(13)14)17(15,16)10-6-4-9(3)5-7-10/h4-8,11H,1-3H3,(H,13,14)