calcium disodium 2-[2-azanylethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate tetrahydrate

Systemtic Name: calcium disodium 2-[2-azanylethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate tetrahydrate Openeye Name: calcium disodium 2-[2-aminoethyl-(2-oxido-2-oxo-ethyl)amino]acetate tetrahydrate CAS Name: calcium disodium 2-[2-aminoethyl-(2-oxido-2-oxoethyl)amino]acetate tetrahydrate IUPAC Name: calcium disodium 2-[2-aminoethyl-(2-oxido-2-oxoethyl)amino]acetate tetrahydrate Traditional Name: calcium disodium 2-[2-aminoethyl-(2-keto-2-oxido-ethyl)amino]acetate tetrahydrate Formula: C12H28CaN4Na2O12 MolecularWeight: 506.42786

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Descriptors Computed from Structure

Canonical SMILES:

C(CN(CC(=O)[O-])CC(=O)[O-])N.C(CN(CC(=O)[O-])CC(=O)[O-])N.O.O.O.O.[Na+].[Na+].[Ca+2]

Isomeric SMILES

C(CN(CC(=O)[O-])CC(=O)[O-])N.C(CN(CC(=O)[O-])CC(=O)[O-])N.O.O.O.O.[Na+].[Na+].[Ca+2]

InChI

InChI=1S/2C6H12N2O4.Ca.2Na.4H2O/c2*7-1-2-8(3-5(9)10)4-6(11)12;;;;;;;/h2*1-4,7H2,(H,9,10)(H,11,12);;;;4*1H2/q;;+2;2*+1;;;;/p-4