tetracalcium tetrasodium 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: tetracalcium tetrasodium 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: tetracalcium tetrasodium 2-[2-[bis(2-oxido-2-oxo-ethyl)amino]ethyl-(2-oxido-2-oxo-ethyl)amino]acetate CAS Name: tetracalcium tetrasodium 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetate IUPAC Name: tetracalcium tetrasodium 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetate Traditional Name: tetracalcium tetrasodium 2-[2-[bis(2-keto-2-oxido-ethyl)amino]ethyl-(2-keto-2-oxido-ethyl)amino]acetate Formula: C30H36Ca4N6Na4O24 MolecularWeight: 1116.90372

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

InChI

InChI=1S/3C10H16N2O8.4Ca.4Na/c3*13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;;;/h3*1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;;;;/q;;;4*+2;4*+1/p-12