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

Systemtic Name: 5,7-bis(bromanyl)-3-tert-butyl-6-methyl-1-oxidanidyl-1,2,3,4-benzotetrazine-1,3-diium Openeye Name: 5,7-dibromo-3-tert-butyl-6-methyl-1-oxido-1,2,3,4-benzotetrazine-1,3-diium CAS Name: 5,7-dibromo-3-tert-butyl-6-methyl-1-oxido-1,2,3,4-benzotetrazine-1,3-diium IUPAC Name: 5,7-dibromo-3-tert-butyl-6-methyl-1-oxido-1,2,3,4-benzotetrazine-1,3-diium Traditional Name: 5,7-dibromo-3-tert-butyl-6-methyl-1-oxido-1,2,3,4-benzotetrazine-1,3-diium Formula: C11H13Br2N4O+ MolecularWeight: 377.05512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1Br)N=[N+](N=[N+]2[O-])C(C)(C)C)Br

Isomeric SMILES

CC1=C(C=C2C(=C1Br)N=[N+](N=[N+]2[O-])C(C)(C)C)Br

InChI

InChI=1S/C11H13Br2N4O/c1-6-7(12)5-8-10(9(6)13)14-17(11(2,3)4)15-16(8)18/h5H,1-4H3/q+1