(2-methyl-3-oxidanylidene-cyclohexen-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-3-oxidanylidene-cyclohexen-1-yl) 4-methylbenzenesulfonate Openeye Name: (2-methyl-3-oxo-cyclohexen-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (2-methyl-3-oxocyclohexen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-keto-2-methyl-cyclohexen-1-yl) ester Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)CCC2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)CCC2)C

InChI

InChI=1S/C14H16O4S/c1-10-6-8-12(9-7-10)19(16,17)18-14-5-3-4-13(15)11(14)2/h6-9H,3-5H2,1-2H3