3,5-dinitrobenzenesulfonate; diphenyliodanium

Systemtic Name: 3,5-dinitrobenzenesulfonate; diphenyliodanium Openeye Name: 3,5-dinitrobenzenesulfonate; diphenyliodonium CAS Name: 3,5-dinitrobenzenesulfonate; diphenyliodonium IUPAC Name: 3,5-dinitrobenzenesulfonate; diphenyliodanium Traditional Name: 3,5-dinitrobesylate; diphenyliodonium Formula: C18H13IN2O7S MolecularWeight: 528.27449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10I.C6H4N2O7S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-10H;1-3H,(H,13,14,15)/q+1;/p-1