bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 3-nitrobenzenesulfonate

Systemtic Name: bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 3-nitrobenzenesulfonate Openeye Name: bis[4-(1,1-dimethylpropyl)phenyl]iodonium; 3-nitrobenzenesulfonate CAS Name: bis[4-(2-methylbutan-2-yl)phenyl]iodonium; 3-nitrobenzenesulfonate IUPAC Name: bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 3-nitrobenzenesulfonate Traditional Name: bis(4-tert-amylphenyl)iodonium; 3-nitrobesylate Formula: C28H34INO5S MolecularWeight: 623.54273

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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.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H30I.C6H5NO5S/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;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h9-16H,7-8H2,1-6H3;1-4H,(H,10,11,12)/q+1;/p-1