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

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; tris(2-oxidanylpropyl)azanium Openeye Name: tris(2-hydroxypropyl)ammonium citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; tris(2-hydroxypropyl)ammonium IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; tris(2-hydroxypropyl)azanium Traditional Name: tris(2-hydroxypropyl)ammonium citrate Formula: C33H71N3O16 MolecularWeight: 765.92734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C9H21NO3.C6H8O7/c3*1-7(11)4-10(5-8(2)12)6-9(3)13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*7-9,11-13H,4-6H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)