calcium disodium 3,4-bis(azanyl)-3,4-bis(2-oxidanidyl-2-oxidanylidene-ethyl)hexanedioate dihydrate

Systemtic Name: calcium disodium 3,4-bis(azanyl)-3,4-bis(2-oxidanidyl-2-oxidanylidene-ethyl)hexanedioate dihydrate Openeye Name: calcium disodium 3,4-diamino-3,4-bis(2-oxido-2-oxo-ethyl)hexanedioate dihydrate CAS Name: calcium disodium 3,4-diamino-3,4-bis(2-oxido-2-oxoethyl)hexanedioate dihydrate IUPAC Name: calcium disodium 3,4-diamino-3,4-bis(2-oxido-2-oxoethyl)hexanedioate dihydrate Traditional Name: calcium disodium 3,4-diamino-3,4-bis(2-keto-2-oxido-ethyl)adipate dihydrate Formula: C10H16CaN2Na2O10 MolecularWeight: 410.29898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N2O8.Ca.2Na.2H2O/c11-9(1-5(13)14,2-6(15)16)10(12,3-7(17)18)4-8(19)20;;;;;/h1-4,11-12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;2*1H2/q;+2;2*+1;;/p-4