methyl 3-(3-methylsulfonyloxy-4-oxidanylidene-butyl)benzoate

Systemtic Name: methyl 3-(3-methylsulfonyloxy-4-oxidanylidene-butyl)benzoate Openeye Name: methyl 3-(3-methylsulfonyloxy-4-oxo-butyl)benzoate CAS Name: 3-(3-methylsulfonyloxy-4-oxobutyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-methylsulfonyloxy-4-oxobutyl)benzoate Traditional Name: 3-(4-keto-3-methylsulfonyloxy-butyl)benzoic acid methyl ester Formula: C13H16O6S MolecularWeight: 300.32754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CCC(C=O)OS(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CCC(C=O)OS(=O)(=O)C

InChI

InChI=1S/C13H16O6S/c1-18-13(15)11-5-3-4-10(8-11)6-7-12(9-14)19-20(2,16)17/h3-5,8-9,12H,6-7H2,1-2H3