4-deuterio-3-phenyl-isochromenylium; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-deuterio-3-phenyl-isochromenylium; tris(fluoranyl)methanesulfonate Openeye Name: 4-deuterio-3-phenyl-isochromenylium; trifluoromethanesulfonate CAS Name: 4-deuterio-3-phenyl-2-benzopyrylium; trifluoromethanesulfonate IUPAC Name: 4-deuterio-3-phenylisochromenylium; trifluoromethanesulfonate Traditional Name: 4-deuterio-3-phenyl-2-benzopyrylium triflate Formula: C16H11F3O4S MolecularWeight: 357.322511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C1=C([O+]=CC2=CC=CC=C12)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H11O.CHF3O3S/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;2-1(3,4)8(5,6)7/h1-11H;(H,5,6,7)/q+1;/p-1/i10D;