1,2-dihydropyridine-3,5-dicarboxylate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1,2-dihydropyridine-3,5-dicarboxylate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1,2-dihydropyridine-3,5-dicarboxylate citrate CAS Name: 1,2-dihydropyridine-3,5-dicarboxylate; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1,2-dihydropyridine-3,5-dicarboxylate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1,2-dihydropyridine-3,5-dicarboxylate citrate Formula: C13H10NO11-5 MolecularWeight: 356.2186

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=CN1)C(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1C(=CC(=CN1)C(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C7H7NO4.C6H8O7/c9-6(10)4-1-5(7(11)12)3-8-2-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-2,8H,3H2,(H,9,10)(H,11,12);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-5