2-butylhex-1-enyl(phenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-butylhex-1-enyl(phenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: 2-butylhex-1-enyl(phenyl)iodonium; trifluoromethanesulfonate CAS Name: 2-butylhex-1-enyl(phenyl)iodonium; trifluoromethanesulfonate IUPAC Name: 2-butylhex-1-enyl(phenyl)iodanium; trifluoromethanesulfonate Traditional Name: 2-butylhex-1-enyl(phenyl)iodonium triflate Formula: C17H24F3IO3S MolecularWeight: 492.33534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C[I+]C1=CC=CC=C1)CCCC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(=C[I+]C1=CC=CC=C1)CCCC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H24I.CHF3O3S/c1-3-5-10-15(11-6-4-2)14-17-16-12-8-7-9-13-16;2-1(3,4)8(5,6)7/h7-9,12-14H,3-6,10-11H2,1-2H3;(H,5,6,7)/q+1;/p-1