pyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diolate

Systemtic Name: pyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diolate Openeye Name: pyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diolate CAS Name: pyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diolate IUPAC Name: pyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diolate Traditional Name: pyridin-1-ium; 2,4,6-trinitrobenzene-1,3-diolate Formula: C16H13N5O8 MolecularWeight: 403.30312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.C1=C(C(=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.C1=C(C(=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O8.2C5H5N/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;2*1-2-4-6-5-3-1/h1,10-11H;2*1-5H