bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 3,5-dinitrobenzenesulfonate

Systemtic Name: bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 3,5-dinitrobenzenesulfonate Openeye Name: bis[4-(1,1-dimethylpropyl)phenyl]iodonium; 3,5-dinitrobenzenesulfonate CAS Name: bis[4-(2-methylbutan-2-yl)phenyl]iodonium; 3,5-dinitrobenzenesulfonate IUPAC Name: bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 3,5-dinitrobenzenesulfonate Traditional Name: bis(4-tert-amylphenyl)iodonium; 3,5-dinitrobesylate Formula: C28H33IN2O7S MolecularWeight: 668.54029

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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=C(C=C(C=C1[N+](=O)[O-])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=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H30I.C6H4N2O7S/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;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h9-16H,7-8H2,1-6H3;1-3H,(H,13,14,15)/q+1;/p-1