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

Systemtic Name: 6-bromanyl-2-tert-butyl-4-oxidanidyl-1,2,3,4-benzotetrazine-2,4-diium tetrafluoroborate Openeye Name: 6-bromo-2-tert-butyl-4-oxido-1,2,3,4-benzotetrazine-2,4-diium tetrafluoroborate CAS Name: 6-bromo-2-tert-butyl-4-oxido-1,2,3,4-benzotetrazine-2,4-diium tetrafluoroborate IUPAC Name: 6-bromo-2-tert-butyl-4-oxido-1,2,3,4-benzotetrazine-2,4-diium tetrafluoroborate Traditional Name: 6-bromo-2-tert-butyl-4-oxido-1,2,3,4-benzotetrazine-2,4-diium tetrafluoroborate Formula: C10H12BBrF4N4O MolecularWeight: 370.937093

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)[N+]1=NC2=C(C=C(C=C2)Br)[N+](=N1)[O-]

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)[N+]1=NC2=C(C=C(C=C2)Br)[N+](=N1)[O-]

InChI

InChI=1S/C10H12BrN4O.BF4/c1-10(2,3)15-12-8-5-4-7(11)6-9(8)14(16)13-15;2-1(3,4)5/h4-6H,1-3H3;/q+1;-1