5-pyridin-1-ium-1-ylcyclohexa-1,4-diene-1-carboxylic acid hexafluorophosphate

Systemtic Name: 5-pyridin-1-ium-1-ylcyclohexa-1,4-diene-1-carboxylic acid hexafluorophosphate Openeye Name: 5-pyridin-1-ium-1-ylcyclohexa-1,4-diene-1-carboxylic acid hexafluorophosphate CAS Name: 5-(1-pyridin-1-iumyl)-1-cyclohexa-1,4-dienecarboxylic acid hexafluorophosphate IUPAC Name: 5-pyridin-1-ium-1-ylcyclohexa-1,4-diene-1-carboxylic acid hexafluorophosphate Traditional Name: 5-pyridin-1-ium-1-ylcyclohexa-1,4-diene-1-carboxylic acid hexafluorophosphate Formula: C12H12F6NO2P MolecularWeight: 347.19336

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(=C1)[N+]2=CC=CC=C2)C(=O)O.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1C=C(CC(=C1)[N+]2=CC=CC=C2)C(=O)O.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C12H11NO2.F6P/c14-12(15)10-5-4-6-11(9-10)13-7-2-1-3-8-13;1-7(2,3,4,5)6/h1-3,5-8H,4,9H2;/q;-1/p+1