bis(4-hexadecoxyphenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis(4-hexadecoxyphenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(4-hexadecoxyphenyl)iodonium; trifluoromethanesulfonate CAS Name: bis(4-hexadecoxyphenyl)iodonium; trifluoromethanesulfonate IUPAC Name: bis(4-hexadecoxyphenyl)iodanium; trifluoromethanesulfonate Traditional Name: bis(4-cetyloxyphenyl)iodonium triflate Formula: C45H74F3IO5S MolecularWeight: 911.03074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)OCCCCCCCCCCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)OCCCCCCCCCCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C44H74IO2.CHF3O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39-46-43-35-31-41(32-36-43)45-42-33-37-44(38-34-42)47-40-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-1(3,4)8(5,6)7/h31-38H,3-30,39-40H2,1-2H3;(H,5,6,7)/q+1;/p-1