bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 4-methylbenzenesulfonate

Systemtic Name: bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 4-methylbenzenesulfonate Openeye Name: bis[4-(1,1-dimethylpropyl)phenyl]iodonium; 4-methylbenzenesulfonate CAS Name: bis[4-(2-methylbutan-2-yl)phenyl]iodonium; 4-methylbenzenesulfonate IUPAC Name: bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 4-methylbenzenesulfonate Traditional Name: bis(4-tert-amylphenyl)iodonium tosylate Formula: C29H37IO3S MolecularWeight: 592.57175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30I.C7H8O3S/c1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-6-2-4-7(5-3-6)11(8,9)10/h9-16H,7-8H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1