4-(1,3-dioxan-2-yloxy)but-1-ynyl-phenyl-iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-(1,3-dioxan-2-yloxy)but-1-ynyl-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: 4-(1,3-dioxan-2-yloxy)but-1-ynyl-phenyl-iodonium; trifluoromethanesulfonate CAS Name: 4-(1,3-dioxan-2-yloxy)but-1-ynyl-phenyliodonium; trifluoromethanesulfonate IUPAC Name: 4-(1,3-dioxan-2-yloxy)but-1-ynyl-phenyliodanium; trifluoromethanesulfonate Traditional Name: 4-(1,3-dioxan-2-yloxy)but-1-ynyl-phenyl-iodonium triflate Formula: C15H16F3IO6S MolecularWeight: 508.24862

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)OCCC#C[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1COC(OC1)OCCC#C[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H16IO3.CHF3O3S/c1-2-7-13(8-3-1)15-9-4-5-10-16-14-17-11-6-12-18-14;2-1(3,4)8(5,6)7/h1-3,7-8,14H,5-6,10-12H2;(H,5,6,7)/q+1;/p-1