bis(2-hydroxyethyl)azanium; pentane-1,1,1,2,2,3-hexacarboxylate

Systemtic Name: bis(2-hydroxyethyl)azanium; pentane-1,1,1,2,2,3-hexacarboxylate Openeye Name: bis(2-hydroxyethyl)ammonium; pentane-1,1,1,2,2,3-hexacarboxylate CAS Name: bis(2-hydroxyethyl)ammonium; pentane-1,1,1,2,2,3-hexacarboxylate IUPAC Name: bis(2-hydroxyethyl)azanium; pentane-1,1,1,2,2,3-hexacarboxylate Traditional Name: bis(2-hydroxyethyl)ammonium; pentane-1,1,1,2,2,3-hexacarboxylate Formula: C35H78N6O24 MolecularWeight: 967.01962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])C(C(=O)[O-])(C(=O)[O-])C(C(=O)[O-])(C(=O)[O-])C(=O)[O-].C(CO)[NH2+]CCO.C(CO)[NH2+]CCO.C(CO)[NH2+]CCO.C(CO)[NH2+]CCO.C(CO)[NH2+]CCO.C(CO)[NH2+]CCO

Isomeric SMILES

CCC(C(=O)[O-])C(C(=O)[O-])(C(=O)[O-])C(C(=O)[O-])(C(=O)[O-])C(=O)[O-].C(CO)[NH2+]CCO.C(CO)[NH2+]CCO.C(CO)[NH2+]CCO.C(CO)[NH2+]CCO.C(CO)[NH2+]CCO.C(CO)[NH2+]CCO

InChI

InChI=1S/C11H12O12.6C4H11NO2/c1-2-3(4(12)13)10(5(14)15,6(16)17)11(7(18)19,8(20)21)9(22)23;6*6-3-1-5-2-4-7/h3H,2H2,1H3,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23);6*5-7H,1-4H2