(1,3,3-trimethyl-2-oxidanylidene-cyclohexyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (1,3,3-trimethyl-2-oxidanylidene-cyclohexyl)methyl 4-methylbenzenesulfonate Openeye Name: (1,3,3-trimethyl-2-oxo-cyclohexyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,3,3-trimethyl-2-oxocyclohexyl)methyl ester IUPAC Name: (1,3,3-trimethyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-1,3,3-trimethyl-cyclohexyl)methyl ester Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCC(C2=O)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCC(C2=O)(C)C)C

InChI

InChI=1S/C17H24O4S/c1-13-6-8-14(9-7-13)22(19,20)21-12-17(4)11-5-10-16(2,3)15(17)18/h6-9H,5,10-12H2,1-4H3