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

Systemtic Name: [4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-phenyl-iodanium; 4-methylbenzenesulfonate Openeye Name: (4,4-dimethyl-2,6-dioxo-cyclohexyl)-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: (4,4-dimethyl-2,6-dioxocyclohexyl)-phenyliodonium; 4-methylbenzenesulfonate IUPAC Name: (4,4-dimethyl-2,6-dioxocyclohexyl)-phenyliodanium; 4-methylbenzenesulfonate Traditional Name: (2,6-diketo-4,4-dimethyl-cyclohexyl)-phenyl-iodonium tosylate Formula: C21H23IO5S MolecularWeight: 514.37379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(CC(=O)C(C(=O)C1)[I+]C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(CC(=O)C(C(=O)C1)[I+]C2=CC=CC=C2)C

InChI

InChI=1S/C14H16IO2.C7H8O3S/c1-14(2)8-11(16)13(12(17)9-14)15-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,13H,8-9H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1