2-oxidanylpropane-1,2,3-tricarboxylate hydrate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate hydrate Openeye Name: citrate hydrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate hydrate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate hydrate Traditional Name: citrate hydrate Formula: C6H7O8-3 MolecularWeight: 207.11498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.H2O/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);1H2/p-3