4-methoxy-3-(2-methylpropylsulfonyl)benzoic acid

Systemtic Name: 4-methoxy-3-(2-methylpropylsulfonyl)benzoic acid Openeye Name: 3-isobutylsulfonyl-4-methoxy-benzoic acid CAS Name: 4-methoxy-3-(2-methylpropylsulfonyl)benzoic acid IUPAC Name: 4-methoxy-3-(2-methylpropylsulfonyl)benzoic acid Traditional Name: 3-isobutylsulfonyl-4-methoxy-benzoic acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O5S/c1-8(2)7-18(15,16)11-6-9(12(13)14)4-5-10(11)17-3/h4-6,8H,7H2,1-3H3,(H,13,14)