bis(4-tert-butylphenyl)iodanium; 2-methylbenzenesulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 2-methylbenzenesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; 2-methylbenzenesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 2-methylbenzenesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; 2-methylbenzenesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; 2-methylbesylate Formula: C27H33IO3S MolecularWeight: 564.51859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)[O-].CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)[O-].CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H26I.C7H8O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-6-4-2-3-5-7(6)11(8,9)10/h7-14H,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1