bis(4-methylphenyl)iodanium; 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: bis(4-methylphenyl)iodanium; 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: bis-p-tolyliodonium; 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: bis(4-methylphenyl)iodonium; 3,5-bis(trifluoromethyl)benzenesulfonate IUPAC Name: bis(4-methylphenyl)iodanium; 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: bis-p-tolyliodonium; 3,5-bis(trifluoromethyl)besylate Formula: C22H17F6IO3S MolecularWeight: 602.328469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C.C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C.C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H14I.C8H4F6O3S/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h3-10H,1-2H3;1-3H,(H,15,16,17)/q+1;/p-1