(3-bromophenyl)-(4-methoxyphenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (3-bromophenyl)-(4-methoxyphenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (3-bromophenyl)-(4-methoxyphenyl)iodonium; trifluoromethanesulfonate CAS Name: (3-bromophenyl)-(4-methoxyphenyl)iodonium; trifluoromethanesulfonate IUPAC Name: (3-bromophenyl)-(4-methoxyphenyl)iodanium; trifluoromethanesulfonate Traditional Name: (3-bromophenyl)-(4-methoxyphenyl)iodonium triflate Formula: C14H11BrF3IO4S MolecularWeight: 539.10342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[I+]C2=CC=CC(=C2)Br.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[I+]C2=CC=CC(=C2)Br.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H11BrIO.CHF3O3S/c1-16-13-7-5-11(6-8-13)15-12-4-2-3-10(14)9-12;2-1(3,4)8(5,6)7/h2-9H,1H3;(H,5,6,7)/q+1;/p-1