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

Systemtic Name: 4-(2,6-ditert-butyl-3,5-dideuterio-pyrylium-4-yl)pyridin-1-ium ditetrafluoroborate Openeye Name: 4-(2,6-ditert-butyl-3,5-dideuterio-pyrylium-4-yl)pyridin-1-ium ditetrafluoroborate CAS Name: 4-(2,6-ditert-butyl-3,5-dideuterio-4-pyryliumyl)pyridin-1-ium ditetrafluoroborate IUPAC Name: 4-(2,6-ditert-butyl-3,5-dideuteriopyrylium-4-yl)pyridin-1-ium ditetrafluoroborate Traditional Name: 4-(2,6-ditert-butyl-3,5-dideuterio-pyrylium-4-yl)pyridin-1-ium ditetrafluoroborate Formula: C18H25B2F8NO MolecularWeight: 447.018749

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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=[NH+]C=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H24NO.2BF4/c1-17(2,3)15-11-14(13-7-9-19-10-8-13)12-16(20-15)18(4,5)6;2*2-1(3,4)5/h7-12H,1-6H3;;/q+1;2*-1/p+1/i11D,12D;;