4-(4,4-dimethoxy-3-methylsulfonyloxy-butyl)benzoic acid

Systemtic Name: 4-(4,4-dimethoxy-3-methylsulfonyloxy-butyl)benzoic acid Openeye Name: 4-(4,4-dimethoxy-3-methylsulfonyloxy-butyl)benzoic acid CAS Name: 4-(4,4-dimethoxy-3-methylsulfonyloxybutyl)benzoic acid IUPAC Name: 4-(4,4-dimethoxy-3-methylsulfonyloxybutyl)benzoic acid Traditional Name: 4-(4,4-dimethoxy-3-methylsulfonyloxy-butyl)benzoic acid Formula: C14H20O7S MolecularWeight: 332.3694

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(CCC1=CC=C(C=C1)C(=O)O)OS(=O)(=O)C)OC

Isomeric SMILES

COC(C(CCC1=CC=C(C=C1)C(=O)O)OS(=O)(=O)C)OC

InChI

InChI=1S/C14H20O7S/c1-19-14(20-2)12(21-22(3,17)18)9-6-10-4-7-11(8-5-10)13(15)16/h4-5,7-8,12,14H,6,9H2,1-3H3,(H,15,16)