barium(2+); 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate; cobalt(3+); tetrahydrate

Systemtic Name: barium(2+); 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate; cobalt(3+); tetrahydrate Openeye Name: dicobaltic; barium(2+); 2-[2-[bis(2-oxido-2-oxo-ethyl)amino]ethyl-(2-oxido-2-oxo-ethyl)amino]acetate; tetrahydrate CAS Name: barium(2+); 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetate; cobalt(3+); tetrahydrate IUPAC Name: barium(2+); 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetate; cobalt(3+); tetrahydrate Traditional Name: dicobaltic; barium(2+); 2-[2-[bis(2-keto-2-oxido-ethyl)amino]ethyl-(2-keto-2-oxido-ethyl)amino]acetate; tetrahydrate Formula: C20H32BaCo2N4O20 MolecularWeight: 903.67628

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Descriptors Computed from Structure

Canonical SMILES:

C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.O.O.[Co+3].[Co+3].[Ba+2]

Isomeric SMILES

C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.O.O.[Co+3].[Co+3].[Ba+2]

InChI

InChI=1S/2C10H16N2O8.Ba.2Co.4H2O/c2*13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;;/h2*1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;4*1H2/q;;+2;2*+3;;;;/p-8