2-oxidanylpropane-1,2,3-tricarboxylate dihydrate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate dihydrate Openeye Name: citrate dihydrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate dihydrate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate dihydrate Traditional Name: citrate dihydrate Formula: C6H9O9-3 MolecularWeight: 225.13026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.2H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2/p-3