(2-carboxyoxypyridin-4-yl) hydrogen carbonate hydrate

Systemtic Name: (2-carboxyoxypyridin-4-yl) hydrogen carbonate hydrate Openeye Name: (2-carboxyoxy-4-pyridyl) hydrogen carbonate hydrate CAS Name: carbonic acid (2-carboxyoxy-4-pyridinyl) ester hydrate IUPAC Name: (2-carboxyoxypyridin-4-yl) hydrogen carbonate hydrate Traditional Name: carbonic acid (2-carboxyoxy-4-pyridyl) ester hydrate Formula: C7H7NO7 MolecularWeight: 217.13298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1OC(=O)O)OC(=O)O.O

Isomeric SMILES

C1=CN=C(C=C1OC(=O)O)OC(=O)O.O

InChI

InChI=1S/C7H5NO6.H2O/c9-6(10)13-4-1-2-8-5(3-4)14-7(11)12;/h1-3H,(H,9,10)(H,11,12);1H2