bis(4-ethylphenyl)iodanium; 4-nitrobenzenesulfonate

Systemtic Name: bis(4-ethylphenyl)iodanium; 4-nitrobenzenesulfonate Openeye Name: bis(4-ethylphenyl)iodonium; 4-nitrobenzenesulfonate CAS Name: bis(4-ethylphenyl)iodonium; 4-nitrobenzenesulfonate IUPAC Name: bis(4-ethylphenyl)iodanium; 4-nitrobenzenesulfonate Traditional Name: bis(4-ethylphenyl)iodonium; 4-nitrobesylate Formula: C22H22INO5S MolecularWeight: 539.38325

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC.C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC.C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C16H18I.C6H5NO5S/c1-3-13-5-9-15(10-6-13)17-16-11-7-14(4-2)8-12-16;8-7(9)5-1-3-6(4-2-5)13(10,11)12/h5-12H,3-4H2,1-2H3;1-4H,(H,10,11,12)/q+1;/p-1