(3-oxidanylidenecyclohexyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanylidenecyclohexyl)methyl 4-methylbenzenesulfonate Openeye Name: (3-oxocyclohexyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-oxocyclohexyl)methyl ester IUPAC Name: (3-oxocyclohexyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-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)OCC2CCCC(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC(=O)C2

InChI

InChI=1S/C14H18O4S/c1-11-5-7-14(8-6-11)19(16,17)18-10-12-3-2-4-13(15)9-12/h5-8,12H,2-4,9-10H2,1H3