triazanium; 2-oxidanylpropane-1,2,3-tricarboxylate; 3-oxidanylpyridine-2-carboxylic acid

Systemtic Name: triazanium; 2-oxidanylpropane-1,2,3-tricarboxylate; 3-oxidanylpyridine-2-carboxylic acid Openeye Name: triammonium 3-hydroxypyridine-2-carboxylic acid citrate CAS Name: triammonium; 2-hydroxypropane-1,2,3-tricarboxylate; 3-hydroxy-2-pyridinecarboxylic acid IUPAC Name: triazanium; 2-hydroxypropane-1,2,3-tricarboxylate; 3-hydroxypyridine-2-carboxylic acid Traditional Name: triammonium 3-hydroxypicolinic acid citrate Formula: C12H22N4O10 MolecularWeight: 382.32388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C(=O)O)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C1=CC(=C(N=C1)C(=O)O)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C6H5NO3.C6H8O7.3H3N/c8-4-2-1-3-7-5(4)6(9)10;7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h1-3,8H,(H,9,10);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3