2,6-ditert-butyl-4-(2,6-ditert-butyl-3,5-dideuterio-thiopyran-4-ylidene)pyridin-1-ium 1-oxide tetrafluoroborate

Systemtic Name: 2,6-ditert-butyl-4-(2,6-ditert-butyl-3,5-dideuterio-thiopyran-4-ylidene)pyridin-1-ium 1-oxide tetrafluoroborate Openeye Name: 2,6-ditert-butyl-4-(2,6-ditert-butyl-3,5-dideuterio-thiopyran-4-ylidene)pyridin-1-ium 1-oxide tetrafluoroborate CAS Name: 2,6-ditert-butyl-4-(2,6-ditert-butyl-3,5-dideuterio-4-thiopyranylidene)pyridin-1-ium 1-oxide tetrafluoroborate IUPAC Name: 2,6-ditert-butyl-4-(2,6-ditert-butyl-3,5-dideuteriothiopyran-4-ylidene)pyridin-1-ium 1-oxide tetrafluoroborate Traditional Name: 2,6-ditert-butyl-4-(2,6-ditert-butyl-3,5-dideuterio-thiopyran-4-ylidene)pyridin-1-ium 1-oxide tetrafluoroborate Formula: C26H40BF4NOS MolecularWeight: 503.483836

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=C2C=C(SC(=C2)C(C)(C)C)C(C)(C)C)C=C([N+]1=O)C(C)(C)C

Isomeric SMILES

[2H]C1=C(SC(=C(C1=C2C=C([N+](=O)C(=C2)C(C)(C)C)C(C)(C)C)[2H])C(C)(C)C)C(C)(C)C.[B-](F)(F)(F)F

InChI

InChI=1S/C26H40NOS.BF4/c1-23(2,3)19-13-17(14-20(27(19)28)24(4,5)6)18-15-21(25(7,8)9)29-22(16-18)26(10,11)12;2-1(3,4)5/h13-16H,1-12H3;/q+1;-1/i15D,16D;