(3-methyl-2-oxidanylidene-butyl) 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C(C)C

InChI

InChI=1S/C12H16O4S/c1-9(2)12(13)8-16-17(14,15)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3