diphenyliodanium; 4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonate

Systemtic Name: diphenyliodanium; 4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonate Openeye Name: diphenyliodonium; 3-nitro-4-(p-tolylsulfonyloxy)benzenesulfonate CAS Name: diphenyliodonium; 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonate IUPAC Name: diphenyliodanium; 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonate Traditional Name: diphenyliodonium; 3-nitro-4-tosyloxy-besylate Formula: C25H20INO8S2 MolecularWeight: 653.46267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].C1=CC=C(C=C1)[I+]C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].C1=CC=C(C=C1)[I+]C2=CC=CC=C2

InChI

InChI=1S/C13H11NO8S2.C12H10I/c1-9-2-4-10(5-3-9)24(20,21)22-13-7-6-11(23(17,18)19)8-12(13)14(15)16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-8H,1H3,(H,17,18,19);1-10H/q;+1/p-1