2-oxidanylpropane-1,2,3-tricarboxylate; tris(2-hydroxyethyl)azanium

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; tris(2-hydroxyethyl)azanium Openeye Name: tris(2-hydroxyethyl)ammonium citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; tris(2-hydroxyethyl)ammonium IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; tris(2-hydroxyethyl)azanium Traditional Name: tris(2-hydroxyethyl)ammonium citrate Formula: C24H53N3O16 MolecularWeight: 639.68812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H15NO3.C6H8O7/c3*8-4-1-7(2-5-9)3-6-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*8-10H,1-6H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)