(2,3-didodecylphenyl)-(4-methylphenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (2,3-didodecylphenyl)-(4-methylphenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (2,3-didodecylphenyl)-(p-tolyl)iodonium; trifluoromethanesulfonate CAS Name: (2,3-didodecylphenyl)-(4-methylphenyl)iodonium; trifluoromethanesulfonate IUPAC Name: (2,3-didodecylphenyl)-(4-methylphenyl)iodanium; trifluoromethanesulfonate Traditional Name: (2,3-dilaurylphenyl)-(p-tolyl)iodonium triflate Formula: C38H60F3IO3S MolecularWeight: 780.84588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)[I+]C2=CC=C(C=C2)C)CCCCCCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)[I+]C2=CC=C(C=C2)C)CCCCCCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C37H60I.CHF3O3S/c1-4-6-8-10-12-14-16-18-20-22-25-34-26-24-28-37(38-35-31-29-33(3)30-32-35)36(34)27-23-21-19-17-15-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h24,26,28-32H,4-23,25,27H2,1-3H3;(H,5,6,7)/q+1;/p-1