(1-methyl-2-oxidanylidene-cyclohexyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (1-methyl-2-oxidanylidene-cyclohexyl)methyl 4-methylbenzenesulfonate Openeye Name: (1-methyl-2-oxo-cyclohexyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-2-oxocyclohexyl)methyl ester IUPAC Name: (1-methyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-1-methyl-cyclohexyl)methyl ester Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCCC2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCCC2=O)C

InChI

InChI=1S/C15H20O4S/c1-12-6-8-13(9-7-12)20(17,18)19-11-15(2)10-4-3-5-14(15)16/h6-9H,3-5,10-11H2,1-2H3