5-methylsulfonyl-2-propan-2-yloxy-benzoic acid

Systemtic Name: 5-methylsulfonyl-2-propan-2-yloxy-benzoic acid Openeye Name: 2-isopropoxy-5-methylsulfonyl-benzoic acid CAS Name: 5-methylsulfonyl-2-propan-2-yloxybenzoic acid IUPAC Name: 5-methylsulfonyl-2-propan-2-yloxybenzoic acid Traditional Name: 2-isopropoxy-5-mesyl-benzoic acid Formula: C11H14O5S MolecularWeight: 258.29086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C11H14O5S/c1-7(2)16-10-5-4-8(17(3,14)15)6-9(10)11(12)13/h4-7H,1-3H3,(H,12,13)