2-azaniumylethylazanium; (Z)-prop-1-ene-1,2,3-tricarboxylate

Systemtic Name: 2-azaniumylethylazanium; (Z)-prop-1-ene-1,2,3-tricarboxylate Openeye Name: 2-azaniumylethylammonium; (Z)-prop-1-ene-1,2,3-tricarboxylate CAS Name: 2-ammonioethylammonium; (Z)-1-propene-1,2,3-tricarboxylate IUPAC Name: 2-azaniumylethylazanium; (Z)-prop-1-ene-1,2,3-tricarboxylate Traditional Name: 2-ammonioethylammonium; (Z)-prop-1-ene-1,2,3-tricarboxylate Formula: C18H36N6O12 MolecularWeight: 528.51144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H6O6.3C2H8N2/c2*7-4(8)1-3(6(11)12)2-5(9)10;3*3-1-2-4/h2*1H,2H2,(H,7,8)(H,9,10)(H,11,12);3*1-4H2/b2*3-1-;;;