(3-carboxyoxy-1H-pyrazol-5-yl) hydrogen carbonate hydrate

Systemtic Name: (3-carboxyoxy-1H-pyrazol-5-yl) hydrogen carbonate hydrate Openeye Name: (3-carboxyoxy-1H-pyrazol-5-yl) hydrogen carbonate hydrate CAS Name: carbonic acid (3-carboxyoxy-1H-pyrazol-5-yl) ester hydrate IUPAC Name: (3-carboxyoxy-1H-pyrazol-5-yl) hydrogen carbonate hydrate Traditional Name: carbonic acid (3-carboxyoxy-1H-pyrazol-5-yl) ester hydrate Formula: C5H6N2O7 MolecularWeight: 206.11034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H4N2O6.H2O/c8-4(9)12-2-1-3(7-6-2)13-5(10)11;/h1H,(H,6,7)(H,8,9)(H,10,11);1H2