3-(3-chloranylpyridin-1-ium-1-yl)chromen-2-one tetrafluoroborate

Systemtic Name: 3-(3-chloranylpyridin-1-ium-1-yl)chromen-2-one tetrafluoroborate Openeye Name: 3-(3-chloropyridin-1-ium-1-yl)chromen-2-one tetrafluoroborate CAS Name: 3-(3-chloro-1-pyridin-1-iumyl)-1-benzopyran-2-one tetrafluoroborate IUPAC Name: 3-(3-chloropyridin-1-ium-1-yl)chromen-2-one tetrafluoroborate Traditional Name: 3-(3-chloropyridin-1-ium-1-yl)coumarin tetrafluoroborate Formula: C14H9BClF4NO2 MolecularWeight: 345.484373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClNO2.BF4/c15-11-5-3-7-16(9-11)12-8-10-4-1-2-6-13(10)18-14(12)17;2-1(3,4)5/h1-9H;/q+1;-1