sodium 2-[5-(cyclopropylmethyl)-1H-pyrrol-2-yl]-2-oxidanylidene-ethanoate hydrate

Systemtic Name: sodium 2-[5-(cyclopropylmethyl)-1H-pyrrol-2-yl]-2-oxidanylidene-ethanoate hydrate Openeye Name: sodium 2-[5-(cyclopropylmethyl)-1H-pyrrol-2-yl]-2-oxo-acetate hydrate CAS Name: sodium 2-[5-(cyclopropylmethyl)-1H-pyrrol-2-yl]-2-oxoacetate hydrate IUPAC Name: sodium 2-[5-(cyclopropylmethyl)-1H-pyrrol-2-yl]-2-oxoacetate hydrate Traditional Name: sodium 2-[5-(cyclopropylmethyl)-1H-pyrrol-2-yl]-2-keto-acetate hydrate Formula: C10H12NNaO4 MolecularWeight: 233.19635

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC2=CC=C(N2)C(=O)C(=O)[O-].O.[Na+]

Isomeric SMILES

C1CC1CC2=CC=C(N2)C(=O)C(=O)[O-].O.[Na+]

InChI

InChI=1S/C10H11NO3.Na.H2O/c12-9(10(13)14)8-4-3-7(11-8)5-6-1-2-6;;/h3-4,6,11H,1-2,5H2,(H,13,14);;1H2/q;+1;/p-1