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

Systemtic Name: (4-hexadecoxyphenyl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-hexadecoxyphenyl)-phenyl-iodonium; trifluoromethanesulfonate CAS Name: (4-hexadecoxyphenyl)-phenyliodonium; trifluoromethanesulfonate IUPAC Name: (4-hexadecoxyphenyl)-phenyliodanium; trifluoromethanesulfonate Traditional Name: (4-cetyloxyphenyl)-phenyl-iodonium triflate Formula: C29H42F3IO4S MolecularWeight: 670.60606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42IO.CHF3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-30-28-23-21-27(22-24-28)29-26-19-16-15-17-20-26;2-1(3,4)8(5,6)7/h15-17,19-24H,2-14,18,25H2,1H3;(H,5,6,7)/q+1;/p-1