2-azaniumylethylazanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-azaniumylethylazanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-azaniumylethylammonium dicitrate CAS Name: 2-ammonioethylammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-azaniumylethylazanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-ammonioethylammonium dicitrate Formula: C18H40N6O14 MolecularWeight: 564.542

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Descriptors Computed from Structure

Canonical SMILES:

C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/2C6H8O7.3C2H8N2/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;3*3-1-2-4/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1-4H2