diethyl(oxidanyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: diethyl(oxidanyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: diethyl(hydroxy)ammonium citrate CAS Name: diethyl(hydroxy)ammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: diethyl(hydroxy)azanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: diethyl(hydroxy)ammonium citrate Formula: C18H41N3O10 MolecularWeight: 459.53224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.3C4H11NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-3-5(6)4-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*6H,3-4H2,1-2H3