3-methyl-2-(4-methylsulfonyloxyphenyl)butanoic acid

Systemtic Name: 3-methyl-2-(4-methylsulfonyloxyphenyl)butanoic acid Openeye Name: 3-methyl-2-(4-methylsulfonyloxyphenyl)butanoic acid CAS Name: 3-methyl-2-(4-methylsulfonyloxyphenyl)butanoic acid IUPAC Name: 3-methyl-2-(4-methylsulfonyloxyphenyl)butanoic acid Traditional Name: 3-methyl-2-(4-methylsulfonyloxyphenyl)butyric acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H16O5S/c1-8(2)11(12(13)14)9-4-6-10(7-5-9)17-18(3,15)16/h4-8,11H,1-3H3,(H,13,14)