[3-naphthalen-1-yl-2,5-bis(oxidanylidene)-4-phenyl-pyrrol-1-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-naphthalen-1-yl-2,5-bis(oxidanylidene)-4-phenyl-pyrrol-1-yl] tris(fluoranyl)methanesulfonate Openeye Name: [3-(1-naphthyl)-2,5-dioxo-4-phenyl-pyrrol-1-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-(1-naphthalenyl)-2,5-dioxo-4-phenyl-1-pyrrolyl] ester IUPAC Name: (3-naphthalen-1-yl-2,5-dioxo-4-phenylpyrrol-1-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2,5-diketo-3-(1-naphthyl)-4-phenyl-3-pyrrolin-1-yl] ester Formula: C21H12F3NO5S MolecularWeight: 447.38389

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(C2=O)OS(=O)(=O)C(F)(F)F)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(C2=O)OS(=O)(=O)C(F)(F)F)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H12F3NO5S/c22-21(23,24)31(28,29)30-25-19(26)17(14-8-2-1-3-9-14)18(20(25)27)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H