3-(2-methylpropylsulfonyl)benzoic acid

Systemtic Name: 3-(2-methylpropylsulfonyl)benzoic acid Openeye Name: 3-isobutylsulfonylbenzoic acid CAS Name: 3-(2-methylpropylsulfonyl)benzoic acid IUPAC Name: 3-(2-methylpropylsulfonyl)benzoic acid Traditional Name: 3-isobutylsulfonylbenzoic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S/c1-8(2)7-16(14,15)10-5-3-4-9(6-10)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)