8-bromanyl-2-tert-butyl-5,6-dimethyl-4-oxidanidyl-1,2,3,4-benzotetrazine-2,4-diium tetrafluoroborate

Systemtic Name: 8-bromanyl-2-tert-butyl-5,6-dimethyl-4-oxidanidyl-1,2,3,4-benzotetrazine-2,4-diium tetrafluoroborate Openeye Name: 8-bromo-2-tert-butyl-5,6-dimethyl-4-oxido-1,2,3,4-benzotetrazine-2,4-diium tetrafluoroborate CAS Name: 8-bromo-2-tert-butyl-5,6-dimethyl-4-oxido-1,2,3,4-benzotetrazine-2,4-diium tetrafluoroborate IUPAC Name: 8-bromo-2-tert-butyl-5,6-dimethyl-4-oxido-1,2,3,4-benzotetrazine-2,4-diium tetrafluoroborate Traditional Name: 8-bromo-2-tert-butyl-5,6-dimethyl-4-oxido-1,2,3,4-benzotetrazine-2,4-diium tetrafluoroborate Formula: C12H16BBrF4N4O MolecularWeight: 398.990253

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC(=C2C(=C1C)[N+](=N[N+](=N2)C(C)(C)C)[O-])Br

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC(=C2C(=C1C)[N+](=N[N+](=N2)C(C)(C)C)[O-])Br

InChI

InChI=1S/C12H16BrN4O.BF4/c1-7-6-9(13)10-11(8(7)2)16(18)15-17(14-10)12(3,4)5;2-1(3,4)5/h6H,1-5H3;/q+1;-1