2,3-bis(oxidanyl)butanedioate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2,3-dihydroxybutanedioate citrate CAS Name: 2,3-dihydroxybutanedioate; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2,3-dihydroxybutanedioate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: citrate ditartrate Formula: C14H13O19-7 MolecularWeight: 485.24162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.2C4H6O6/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*5-1(3(7)8)2(6)4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1-2,5-6H,(H,7,8)(H,9,10)/p-7