3,4-diphenylpyrrole-2,5-dione; tris(fluoranyl)methanesulfonate

Systemtic Name: 3,4-diphenylpyrrole-2,5-dione; tris(fluoranyl)methanesulfonate Openeye Name: 3,4-diphenylpyrrole-2,5-dione; trifluoromethanesulfonate CAS Name: 3,4-diphenylpyrrole-2,5-dione; trifluoromethanesulfonate IUPAC Name: 3,4-diphenylpyrrole-2,5-dione; trifluoromethanesulfonate Traditional Name: 3,4-diphenyl-3-pyrroline-2,5-quinone triflate Formula: C17H11F3NO5S- MolecularWeight: 398.33315

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NC2=O)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC2=O)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H11NO2.CHF3O3S/c18-15-13(11-7-3-1-4-8-11)14(16(19)17-15)12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10H,(H,17,18,19);(H,5,6,7)/p-1