(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) tris(fluoranyl)methanesulfonate Openeye Name: (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (6,7-diphenyl-5-pyrrolo[1,2-b]pyridazinyl) ester IUPAC Name: (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) ester Formula: C20H13F3N2O3S MolecularWeight: 418.38903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N3C(=C2OS(=O)(=O)C(F)(F)F)C=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N3C(=C2OS(=O)(=O)C(F)(F)F)C=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H13F3N2O3S/c21-20(22,23)29(26,27)28-19-16-12-7-13-24-25(16)18(15-10-5-2-6-11-15)17(19)14-8-3-1-4-9-14/h1-13H