phenyl-[(E)-2-phenylbut-1-enyl]iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: phenyl-[(E)-2-phenylbut-1-enyl]iodanium; tris(fluoranyl)methanesulfonate Openeye Name: phenyl-[(E)-2-phenylbut-1-enyl]iodonium; trifluoromethanesulfonate CAS Name: phenyl-[(E)-2-phenylbut-1-enyl]iodonium; trifluoromethanesulfonate IUPAC Name: phenyl-[(E)-2-phenylbut-1-enyl]iodanium; trifluoromethanesulfonate Traditional Name: phenyl-[(E)-2-phenylbut-1-enyl]iodonium triflate Formula: C17H16F3IO3S MolecularWeight: 484.27182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16I.CHF3O3S/c1-2-14(15-9-5-3-6-10-15)13-17-16-11-7-4-8-12-16;2-1(3,4)8(5,6)7/h3-13H,2H2,1H3;(H,5,6,7)/q+1;/p-1/b14-13+;