hexaazanium pyridine-3,5-dicarboxylate iodide

Systemtic Name: hexaazanium pyridine-3,5-dicarboxylate iodide Openeye Name: hexaammonium pyridine-3,5-dicarboxylate iodide CAS Name: hexaammonium pyridine-3,5-dicarboxylate iodide IUPAC Name: hexaazanium pyridine-3,5-dicarboxylate iodide Traditional Name: hexaammonium dinicotinate iodide Formula: C21H33IN9O12- MolecularWeight: 730.44429

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1C(=O)[O-])C(=O)[O-].C1=C(C=NC=C1C(=O)[O-])C(=O)[O-].C1=C(C=NC=C1C(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[I-]

Isomeric SMILES

C1=C(C=NC=C1C(=O)[O-])C(=O)[O-].C1=C(C=NC=C1C(=O)[O-])C(=O)[O-].C1=C(C=NC=C1C(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[I-]

InChI

InChI=1S/3C7H5NO4.HI.6H3N/c3*9-6(10)4-1-5(7(11)12)3-8-2-4;;;;;;;/h3*1-3H,(H,9,10)(H,11,12);1H;6*1H3/p-1