3-(3-bromanylpyridin-1-ium-1-yl)chromen-2-one hexafluorophosphate

Systemtic Name: 3-(3-bromanylpyridin-1-ium-1-yl)chromen-2-one hexafluorophosphate Openeye Name: 3-(3-bromopyridin-1-ium-1-yl)chromen-2-one hexafluorophosphate CAS Name: 3-(3-bromo-1-pyridin-1-iumyl)-1-benzopyran-2-one hexafluorophosphate IUPAC Name: 3-(3-bromopyridin-1-ium-1-yl)chromen-2-one hexafluorophosphate Traditional Name: 3-(3-bromopyridin-1-ium-1-yl)coumarin hexafluorophosphate Formula: C14H9BrF6NO2P MolecularWeight: 448.09494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)[N+]3=CC=CC(=C3)Br.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)[N+]3=CC=CC(=C3)Br.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C14H9BrNO2.F6P/c15-11-5-3-7-16(9-11)12-8-10-4-1-2-6-13(10)18-14(12)17;1-7(2,3,4,5)6/h1-9H;/q+1;-1