[2-(2-hexylphenyl)phenyl]iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [2-(2-hexylphenyl)phenyl]iodanium; tris(fluoranyl)methanesulfonate Openeye Name: [2-(2-hexylphenyl)phenyl]iodonium; trifluoromethanesulfonate CAS Name: [2-(2-hexylphenyl)phenyl]iodonium; trifluoromethanesulfonate IUPAC Name: [2-(2-hexylphenyl)phenyl]iodanium; trifluoromethanesulfonate Traditional Name: [2-(2-hexylphenyl)phenyl]iodonium triflate Formula: C19H22F3IO3S MolecularWeight: 514.34086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1C2=CC=CC=C2[IH+].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=CC=C1C2=CC=CC=C2[IH+].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C18H22I.CHF3O3S/c1-2-3-4-5-10-15-11-6-7-12-16(15)17-13-8-9-14-18(17)19;2-1(3,4)8(5,6)7/h6-9,11-14,19H,2-5,10H2,1H3;(H,5,6,7)/q+1;/p-1