tripotassium 2,4-dinitro-3-nitrooxy-5-oxidanyl-benzoate

Systemtic Name: tripotassium 2,4-dinitro-3-nitrooxy-5-oxidanyl-benzoate Openeye Name: tripotassium 5-hydroxy-2,4-dinitro-3-nitrooxy-benzoate CAS Name: tripotassium 5-hydroxy-2,4-dinitro-3-nitrooxybenzoate IUPAC Name: tripotassium 5-hydroxy-2,4-dinitro-3-nitrooxybenzoate Traditional Name: tripotassium 5-hydroxy-2,4-dinitro-3-nitrooxy-benzoate Formula: C21H6K3N9O30 MolecularWeight: 981.60954

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1O)[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-].C1=C(C(=C(C(=C1O)[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-].C1=C(C(=C(C(=C1O)[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

C1=C(C(=C(C(=C1O)[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-].C1=C(C(=C(C(=C1O)[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-].C1=C(C(=C(C(=C1O)[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/3C7H3N3O10.3K/c3*11-3-1-2(7(12)13)4(8(14)15)6(20-10(18)19)5(3)9(16)17;;;/h3*1,11H,(H,12,13);;;/q;;;3*+1/p-3