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

Systemtic Name: ethanedioate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: oxalate citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; oxalate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; oxalate Traditional Name: oxalate citrate Formula: C8H5O11-5 MolecularWeight: 277.1187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.C2H2O4/c7-3(8)1-6(13,5(11)12)2-4(9)10;3-1(4)2(5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);(H,3,4)(H,5,6)/p-5