3,5-bis(trifluoromethyl)benzenesulfonate; diphenyliodanium

Systemtic Name: 3,5-bis(trifluoromethyl)benzenesulfonate; diphenyliodanium Openeye Name: 3,5-bis(trifluoromethyl)benzenesulfonate; diphenyliodonium CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonate; diphenyliodonium IUPAC Name: 3,5-bis(trifluoromethyl)benzenesulfonate; diphenyliodanium Traditional Name: 3,5-bis(trifluoromethyl)besylate; diphenyliodonium Formula: C20H13F6IO3S MolecularWeight: 574.275309

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[I+]C2=CC=CC=C2.C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)[I+]C2=CC=CC=C2.C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H10I.C8H4F6O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h1-10H;1-3H,(H,15,16,17)/q+1;/p-1