3-(4-methylphenyl)-1-phenyl-isochromenylium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-(4-methylphenyl)-1-phenyl-isochromenylium; tris(fluoranyl)methanesulfonate Openeye Name: 1-phenyl-3-(p-tolyl)isochromenylium; trifluoromethanesulfonate CAS Name: 3-(4-methylphenyl)-1-phenyl-2-benzopyrylium; trifluoromethanesulfonate IUPAC Name: 3-(4-methylphenyl)-1-phenylisochromenylium; trifluoromethanesulfonate Traditional Name: 1-phenyl-3-(p-tolyl)-2-benzopyrylium triflate Formula: C23H17F3O4S MolecularWeight: 446.43889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[O+]2)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[O+]2)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H17O.CHF3O3S/c1-16-11-13-17(14-12-16)21-15-19-9-5-6-10-20(19)22(23-21)18-7-3-2-4-8-18;2-1(3,4)8(5,6)7/h2-15H,1H3;(H,5,6,7)/q+1;/p-1