(2-oxidanylidenecyclohexyl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanylidenecyclohexyl) 4-methylbenzenesulfonate Openeye Name: (2-oxocyclohexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-ketocyclohexyl) ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2=O

InChI

InChI=1S/C13H16O4S/c1-10-6-8-11(9-7-10)18(15,16)17-13-5-3-2-4-12(13)14/h6-9,13H,2-5H2,1H3