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

Systemtic Name: 4-(2,6-ditert-butyl-3,5-dideuterio-pyrylium-4-yl)-1-methoxy-pyridin-1-ium ditetrafluoroborate Openeye Name: 4-(2,6-ditert-butyl-3,5-dideuterio-pyrylium-4-yl)-1-methoxy-pyridin-1-ium ditetrafluoroborate CAS Name: 4-(2,6-ditert-butyl-3,5-dideuterio-4-pyryliumyl)-1-methoxypyridin-1-ium ditetrafluoroborate IUPAC Name: 4-(2,6-ditert-butyl-3,5-dideuteriopyrylium-4-yl)-1-methoxypyridin-1-ium ditetrafluoroborate Traditional Name: 4-(2,6-ditert-butyl-3,5-dideuterio-pyrylium-4-yl)-1-methoxy-pyridin-1-ium ditetrafluoroborate Formula: C19H27B2F8NO2 MolecularWeight: 477.044729

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO2.2BF4/c1-18(2,3)16-12-15(13-17(22-16)19(4,5)6)14-8-10-20(21-7)11-9-14;2*2-1(3,4)5/h8-13H,1-7H3;;/q+2;2*-1/i12D,13D;;