4-(2,6-ditert-butyl-3,5-dideuterio-pyrylium-4-yl)-1-oxidanyl-pyridin-1-ium ditetrafluoroborate

Systemtic Name: 4-(2,6-ditert-butyl-3,5-dideuterio-pyrylium-4-yl)-1-oxidanyl-pyridin-1-ium ditetrafluoroborate Openeye Name: 4-(2,6-ditert-butyl-3,5-dideuterio-pyrylium-4-yl)-1-hydroxy-pyridin-1-ium ditetrafluoroborate CAS Name: 4-(2,6-ditert-butyl-3,5-dideuterio-4-pyryliumyl)-1-hydroxypyridin-1-ium ditetrafluoroborate IUPAC Name: 4-(2,6-ditert-butyl-3,5-dideuteriopyrylium-4-yl)-1-hydroxypyridin-1-ium ditetrafluoroborate Traditional Name: 4-(2,6-ditert-butyl-3,5-dideuterio-pyrylium-4-yl)-1-hydroxy-pyridin-1-ium ditetrafluoroborate Formula: C18H25B2F8NO2 MolecularWeight: 463.018149

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC(C)(C)C1=CC(=CC(=[O+]1)C(C)(C)C)C2=CC=[N+](C=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO2.2BF4/c1-17(2,3)15-11-14(12-16(21-15)18(4,5)6)13-7-9-19(20)10-8-13;2*2-1(3,4)5/h7-12,20H,1-6H3;;/q+2;2*-1/i11D,12D;;