bis(4-methylphenyl)iodanium; 3-nitrobenzenesulfonate

Systemtic Name: bis(4-methylphenyl)iodanium; 3-nitrobenzenesulfonate Openeye Name: bis-p-tolyliodonium; 3-nitrobenzenesulfonate CAS Name: bis(4-methylphenyl)iodonium; 3-nitrobenzenesulfonate IUPAC Name: bis(4-methylphenyl)iodanium; 3-nitrobenzenesulfonate Traditional Name: bis-p-tolyliodonium; 3-nitrobesylate Formula: C20H18INO5S MolecularWeight: 511.33009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14I.C6H5NO5S/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h3-10H,1-2H3;1-4H,(H,10,11,12)/q+1;/p-1