2-(2-methylpropylsulfonylmethyl)benzoic acid

Systemtic Name: 2-(2-methylpropylsulfonylmethyl)benzoic acid Openeye Name: 2-(isobutylsulfonylmethyl)benzoic acid CAS Name: 2-(2-methylpropylsulfonylmethyl)benzoic acid IUPAC Name: 2-(2-methylpropylsulfonylmethyl)benzoic acid Traditional Name: 2-(isobutylsulfonylmethyl)benzoic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)CC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)CS(=O)(=O)CC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H16O4S/c1-9(2)7-17(15,16)8-10-5-3-4-6-11(10)12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)