3-(4-methylphenyl)isochromenylium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-(4-methylphenyl)isochromenylium; tris(fluoranyl)methanesulfonate Openeye Name: 3-(p-tolyl)isochromenylium; trifluoromethanesulfonate CAS Name: 3-(4-methylphenyl)-2-benzopyrylium; trifluoromethanesulfonate IUPAC Name: 3-(4-methylphenyl)isochromenylium; trifluoromethanesulfonate Traditional Name: 3-(p-tolyl)-2-benzopyrylium triflate Formula: C17H13F3O4S MolecularWeight: 370.34293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C=[O+]2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C=[O+]2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H13O.CHF3O3S/c1-12-6-8-13(9-7-12)16-10-14-4-2-3-5-15(14)11-17-16;2-1(3,4)8(5,6)7/h2-11H,1H3;(H,5,6,7)/q+1;/p-1