5,6,7-tris(bromanyl)-3-tert-butyl-1-oxidanidyl-1,2,3,4-benzotetrazine-1,3-diium

Systemtic Name: 5,6,7-tris(bromanyl)-3-tert-butyl-1-oxidanidyl-1,2,3,4-benzotetrazine-1,3-diium Openeye Name: 5,6,7-tribromo-3-tert-butyl-1-oxido-1,2,3,4-benzotetrazine-1,3-diium CAS Name: 5,6,7-tribromo-3-tert-butyl-1-oxido-1,2,3,4-benzotetrazine-1,3-diium IUPAC Name: 5,6,7-tribromo-3-tert-butyl-1-oxido-1,2,3,4-benzotetrazine-1,3-diium Traditional Name: 5,6,7-tribromo-3-tert-butyl-1-oxido-1,2,3,4-benzotetrazine-1,3-diium Formula: C10H10Br3N4O+ MolecularWeight: 441.9246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10Br3N4O/c1-10(2,3)17-14-9-6(16(18)15-17)4-5(11)7(12)8(9)13/h4H,1-3H3/q+1