2-bromanyl-4,6-dinitro-benzenediazonium sulfate

Systemtic Name: 2-bromanyl-4,6-dinitro-benzenediazonium sulfate Openeye Name: 2-bromo-4,6-dinitro-benzenediazonium sulfate CAS Name: 2-bromo-4,6-dinitrobenzenediazonium sulfate IUPAC Name: 2-bromo-4,6-dinitrobenzenediazonium sulfate Traditional Name: 2-bromo-4,6-dinitro-benzenediazonium sulfate Formula: C12H4Br2N8O12S MolecularWeight: 644.07956

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])[N+]#N)Br)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[N+]#N)Br)[N+](=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])[N+]#N)Br)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[N+]#N)Br)[N+](=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C6H2BrN4O4.H2O4S/c2*7-4-1-3(10(12)13)2-5(11(14)15)6(4)9-8;1-5(2,3)4/h2*1-2H;(H2,1,2,3,4)/q2*+1;/p-2