2-oxidanylpropane-1,2,3-tricarboxylate; 2-oxidanylpropylazanium

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 2-oxidanylpropylazanium Openeye Name: 2-hydroxypropylammonium citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 2-hydroxypropylammonium IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 2-hydroxypropylazanium Traditional Name: 2-hydroxypropylammonium citrate Formula: C15H35N3O10 MolecularWeight: 417.4525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.3C3H9NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-3(5)2-4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*3,5H,2,4H2,1H3