bis(4-tert-butylphenyl)iodanium; 4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; 3-nitro-4-(p-tolylsulfonyloxy)benzenesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; 3-nitro-4-tosyloxy-besylate Formula: C33H36INO8S2 MolecularWeight: 765.67531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=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=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H26I.C13H11NO8S2/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-9-2-4-10(5-3-9)24(20,21)22-13-7-6-11(23(17,18)19)8-12(13)14(15)16/h7-14H,1-6H3;2-8H,1H3,(H,17,18,19)/q+1;/p-1