bis[(4-methylphenyl)carbonyl]iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis[(4-methylphenyl)carbonyl]iodanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(4-methylbenzoyl)iodonium; trifluoromethanesulfonate CAS Name: bis[(4-methylphenyl)-oxomethyl]iodonium; trifluoromethanesulfonate IUPAC Name: bis(4-methylbenzoyl)iodanium; trifluoromethanesulfonate Traditional Name: bis(p-toluoyl)iodonium triflate Formula: C17H14F3IO5S MolecularWeight: 514.25474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)[I+]C(=O)C2=CC=C(C=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[I+]C(=O)C2=CC=C(C=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H14IO2.CHF3O3S/c1-11-3-7-13(8-4-11)15(18)17-16(19)14-9-5-12(2)6-10-14;2-1(3,4)8(5,6)7/h3-10H,1-2H3;(H,5,6,7)/q+1;/p-1