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

Systemtic Name: (4-octadecoxyphenyl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-octadecoxyphenyl)-phenyl-iodonium; trifluoromethanesulfonate CAS Name: (4-octadecoxyphenyl)-phenyliodonium; trifluoromethanesulfonate IUPAC Name: (4-octadecoxyphenyl)-phenyliodanium; trifluoromethanesulfonate Traditional Name: phenyl-(4-stearyloxyphenyl)iodonium triflate Formula: C31H46F3IO4S MolecularWeight: 698.65922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46IO.CHF3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-32-30-25-23-29(24-26-30)31-28-21-18-17-19-22-28;2-1(3,4)8(5,6)7/h17-19,21-26H,2-16,20,27H2,1H3;(H,5,6,7)/q+1;/p-1