bis(4-tert-butylphenyl)iodanium; 4-(2-phenylpropan-2-yl)benzenesulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 4-(2-phenylpropan-2-yl)benzenesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; 4-(1-methyl-1-phenyl-ethyl)benzenesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 4-(2-phenylpropan-2-yl)benzenesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; 4-(2-phenylpropan-2-yl)benzenesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; 4-cumylbesylate Formula: C35H41IO3S MolecularWeight: 668.66771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26I.C15H16O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-15(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)19(16,17)18/h7-14H,1-6H3;3-11H,1-2H3,(H,16,17,18)/q+1;/p-1