barium(2+); 1-(hydroxymethyl)-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: barium(2+); 1-(hydroxymethyl)-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: barium(2+); 1-(hydroxymethyl)-5-oxo-pyrrolidine-2-carboxylate CAS Name: barium(2+); 1-(hydroxymethyl)-5-oxo-2-pyrrolidinecarboxylate IUPAC Name: barium(2+); 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate Traditional Name: barium(2+); 5-keto-1-methylol-pyrrolidine-2-carboxylate Formula: C12H16BaN2O8 MolecularWeight: 453.59104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C(=O)[O-])CO.C1CC(=O)N(C1C(=O)[O-])CO.[Ba+2]

Isomeric SMILES

C1CC(=O)N(C1C(=O)[O-])CO.C1CC(=O)N(C1C(=O)[O-])CO.[Ba+2]

InChI

InChI=1S/2C6H9NO4.Ba/c2*8-3-7-4(6(10)11)1-2-5(7)9;/h2*4,8H,1-3H2,(H,10,11);/q;;+2/p-2