sodium 2-(1H-pyrrol-2-yl)ethanoate dihydrate

Systemtic Name: sodium 2-(1H-pyrrol-2-yl)ethanoate dihydrate Openeye Name: sodium 2-(1H-pyrrol-2-yl)acetate dihydrate CAS Name: sodium 2-(1H-pyrrol-2-yl)acetate dihydrate IUPAC Name: sodium 2-(1H-pyrrol-2-yl)acetate dihydrate Traditional Name: sodium 2-(1H-pyrrol-2-yl)acetate dihydrate Formula: C6H10NNaO4 MolecularWeight: 183.13767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)CC(=O)[O-].O.O.[Na+]

Isomeric SMILES

C1=CNC(=C1)CC(=O)[O-].O.O.[Na+]

InChI

InChI=1S/C6H7NO2.Na.2H2O/c8-6(9)4-5-2-1-3-7-5;;;/h1-3,7H,4H2,(H,8,9);;2*1H2/q;+1;;/p-1