(3,3-dimethyl-2-oxidanylidene-butyl) 4-methylbenzenesulfonate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-methylbenzenesulfonate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-10-5-7-11(8-6-10)18(15,16)17-9-12(14)13(2,3)4/h5-8H,9H2,1-4H3