bis(4-methylphenyl)iodanium; 3,5-dinitrobenzenesulfonate

Systemtic Name: bis(4-methylphenyl)iodanium; 3,5-dinitrobenzenesulfonate Openeye Name: bis-p-tolyliodonium; 3,5-dinitrobenzenesulfonate CAS Name: bis(4-methylphenyl)iodonium; 3,5-dinitrobenzenesulfonate IUPAC Name: bis(4-methylphenyl)iodanium; 3,5-dinitrobenzenesulfonate Traditional Name: bis-p-tolyliodonium; 3,5-dinitrobesylate Formula: C20H17IN2O7S MolecularWeight: 556.32765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14I.C6H4N2O7S/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h3-10H,1-2H3;1-3H,(H,13,14,15)/q+1;/p-1