[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-(4-methylphenyl)iodanium; 4-methylbenzenesulfonate

Systemtic Name: [4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-(4-methylphenyl)iodanium; 4-methylbenzenesulfonate Openeye Name: (4,4-dimethyl-2,6-dioxo-cyclohexyl)-(p-tolyl)iodonium; 4-methylbenzenesulfonate CAS Name: (4,4-dimethyl-2,6-dioxocyclohexyl)-(4-methylphenyl)iodonium; 4-methylbenzenesulfonate IUPAC Name: (4,4-dimethyl-2,6-dioxocyclohexyl)-(4-methylphenyl)iodanium; 4-methylbenzenesulfonate Traditional Name: (2,6-diketo-4,4-dimethyl-cyclohexyl)-(p-tolyl)iodonium tosylate Formula: C22H25IO5S MolecularWeight: 528.40037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)[I+]C2C(=O)CC(CC2=O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)[I+]C2C(=O)CC(CC2=O)(C)C

InChI

InChI=1S/C15H18IO2.C7H8O3S/c1-10-4-6-11(7-5-10)16-14-12(17)8-15(2,3)9-13(14)18;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,14H,8-9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1