(4-oxidanylidenecyclohexyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (4-oxidanylidenecyclohexyl)methyl 4-methylbenzenesulfonate Openeye Name: (4-oxocyclohexyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-oxocyclohexyl)methyl ester IUPAC Name: (4-oxocyclohexyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-ketocyclohexyl)methyl ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(=O)CC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(=O)CC2

InChI

InChI=1S/C14H18O4S/c1-11-2-8-14(9-3-11)19(16,17)18-10-12-4-6-13(15)7-5-12/h2-3,8-9,12H,4-7,10H2,1H3