diphenyliodanium; 4-octoxycarbonylbenzenesulfonate

Systemtic Name: diphenyliodanium; 4-octoxycarbonylbenzenesulfonate Openeye Name: diphenyliodonium; 4-octoxycarbonylbenzenesulfonate CAS Name: diphenyliodonium; 4-[octoxy(oxo)methyl]benzenesulfonate IUPAC Name: diphenyliodanium; 4-octoxycarbonylbenzenesulfonate Traditional Name: diphenyliodonium; 4-octoxycarbonylbesylate Formula: C27H31IO5S MolecularWeight: 594.50151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O5S.C12H10I/c1-2-3-4-5-6-7-12-20-15(16)13-8-10-14(11-9-13)21(17,18)19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-11H,2-7,12H2,1H3,(H,17,18,19);1-10H/q;+1/p-1