(4-octadecoxyphenyl)-(phenylmethyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-octadecoxyphenyl)-(phenylmethyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: benzyl-(4-octadecoxyphenyl)iodonium; trifluoromethanesulfonate CAS Name: (4-octadecoxyphenyl)-(phenylmethyl)iodonium; trifluoromethanesulfonate IUPAC Name: benzyl-(4-octadecoxyphenyl)iodanium; trifluoromethanesulfonate Traditional Name: benzyl-(4-stearyloxyphenyl)iodonium triflate Formula: C32H48F3IO4S MolecularWeight: 712.6858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)[I+]CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)[I+]CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C31H48IO.CHF3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-33-31-25-23-30(24-26-31)32-28-29-21-18-17-19-22-29;2-1(3,4)8(5,6)7/h17-19,21-26H,2-16,20,27-28H2,1H3;(H,5,6,7)/q+1;/p-1