diphenyliodanium; 4-(phenylmethyl)benzenesulfonate

Systemtic Name: diphenyliodanium; 4-(phenylmethyl)benzenesulfonate Openeye Name: 4-benzylbenzenesulfonate; diphenyliodonium CAS Name: diphenyliodonium; 4-(phenylmethyl)benzenesulfonate IUPAC Name: 4-benzylbenzenesulfonate; diphenyliodanium Traditional Name: 4-benzylbesylate; diphenyliodonium Formula: C25H21IO3S MolecularWeight: 528.40191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC=CC=C2

InChI

InChI=1S/C13H12O3S.C12H10I/c14-17(15,16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9H,10H2,(H,14,15,16);1-10H/q;+1/p-1