(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-methylbenzenesulfonate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C15H18O4S MolecularWeight: 294.36602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)CC(C2)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)CC(C2)(C)C

InChI

InChI=1S/C15H18O4S/c1-11-4-6-14(7-5-11)20(17,18)19-13-8-12(16)9-15(2,3)10-13/h4-8H,9-10H2,1-3H3