2-methoxy-5-methylsulfonyl-4-propan-2-yl-benzoic acid

Systemtic Name: 2-methoxy-5-methylsulfonyl-4-propan-2-yl-benzoic acid Openeye Name: 4-isopropyl-2-methoxy-5-methylsulfonyl-benzoic acid CAS Name: 2-methoxy-5-methylsulfonyl-4-propan-2-ylbenzoic acid IUPAC Name: 2-methoxy-5-methylsulfonyl-4-propan-2-ylbenzoic acid Traditional Name: 4-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=C(C(=C1)OC)C(=O)O)S(=O)(=O)C

Isomeric SMILES

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

InChI

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