3-oxidanylidenepentan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 3-oxidanylidenepentan-2-yl 4-methylbenzenesulfonate Openeye Name: (1-methyl-2-oxo-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-oxopentan-2-yl ester IUPAC Name: 3-oxopentan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-1-methyl-butyl) ester Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-4-12(13)10(3)16-17(14,15)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3