4-(3-methylsulfonyloxy-4-oxidanylidene-butyl)benzoic acid

Systemtic Name: 4-(3-methylsulfonyloxy-4-oxidanylidene-butyl)benzoic acid Openeye Name: 4-(3-methylsulfonyloxy-4-oxo-butyl)benzoic acid CAS Name: 4-(3-methylsulfonyloxy-4-oxobutyl)benzoic acid IUPAC Name: 4-(3-methylsulfonyloxy-4-oxobutyl)benzoic acid Traditional Name: 4-(4-keto-3-methylsulfonyloxy-butyl)benzoic acid Formula: C12H14O6S MolecularWeight: 286.30096

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCC1=CC=C(C=C1)C(=O)O)C=O

Isomeric SMILES

CS(=O)(=O)OC(CCC1=CC=C(C=C1)C(=O)O)C=O

InChI

InChI=1S/C12H14O6S/c1-19(16,17)18-11(8-13)7-4-9-2-5-10(6-3-9)12(14)15/h2-3,5-6,8,11H,4,7H2,1H3,(H,14,15)