[3-(3-bromanylpropoxy)-2-phenyl-phenyl]iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(3-bromanylpropoxy)-2-phenyl-phenyl]iodanium; tris(fluoranyl)methanesulfonate Openeye Name: [3-(3-bromopropoxy)-2-phenyl-phenyl]iodonium; trifluoromethanesulfonate CAS Name: [3-(3-bromopropoxy)-2-phenylphenyl]iodonium; trifluoromethanesulfonate IUPAC Name: [3-(3-bromopropoxy)-2-phenylphenyl]iodanium; trifluoromethanesulfonate Traditional Name: [3-(3-bromopropoxy)-2-phenyl-phenyl]iodonium triflate Formula: C16H15BrF3IO4S MolecularWeight: 567.15658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC=C2[IH+])OCCCBr.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC=C2[IH+])OCCCBr.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H15BrIO.CHF3O3S/c16-10-5-11-18-14-9-4-8-13(17)15(14)12-6-2-1-3-7-12;2-1(3,4)8(5,6)7/h1-4,6-9,17H,5,10-11H2;(H,5,6,7)/q+1;/p-1