2-methoxy-5-methylsulfonyl-3-propan-2-yl-benzoic acid

Systemtic Name: 2-methoxy-5-methylsulfonyl-3-propan-2-yl-benzoic acid Openeye Name: 3-isopropyl-2-methoxy-5-methylsulfonyl-benzoic acid CAS Name: 2-methoxy-5-methylsulfonyl-3-propan-2-ylbenzoic acid IUPAC Name: 2-methoxy-5-methylsulfonyl-3-propan-2-ylbenzoic acid Traditional Name: 3-isopropyl-5-mesyl-2-methoxy-benzoic acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O5S/c1-7(2)9-5-8(18(4,15)16)6-10(12(13)14)11(9)17-3/h5-7H,1-4H3,(H,13,14)