bis(4-tert-butylphenyl)iodanium; 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; 2,5-bis(p-tolylsulfonyloxy)benzenesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; 2,5-ditosyloxybesylate Formula: C40H43IO9S3 MolecularWeight: 890.86349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)S(=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=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)S(=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.C20H18O9S3/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-14-3-8-17(9-4-14)31(24,25)28-16-7-12-19(20(13-16)30(21,22)23)29-32(26,27)18-10-5-15(2)6-11-18/h7-14H,1-6H3;3-13H,1-2H3,(H,21,22,23)/q+1;/p-1