(4-methylphenyl)-(2-oxidanylidenechromen-7-yl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-methylphenyl)-(2-oxidanylidenechromen-7-yl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (2-oxochromen-7-yl)-(p-tolyl)iodonium; trifluoromethanesulfonate CAS Name: (4-methylphenyl)-(2-oxo-1-benzopyran-7-yl)iodonium; trifluoromethanesulfonate IUPAC Name: (4-methylphenyl)-(2-oxochromen-7-yl)iodanium; trifluoromethanesulfonate Traditional Name: (2-ketochromen-7-yl)-(p-tolyl)iodonium triflate Formula: C17H12F3IO5S MolecularWeight: 512.23886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[I+]C2=CC3=C(C=C2)C=CC(=O)O3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[I+]C2=CC3=C(C=C2)C=CC(=O)O3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H12IO2.CHF3O3S/c1-11-2-6-13(7-3-11)17-14-8-4-12-5-9-16(18)19-15(12)10-14;2-1(3,4)8(5,6)7/h2-10H,1H3;(H,5,6,7)/q+1;/p-1