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

Systemtic Name: calcium 3,4-bis(azanyl)-3,4-bis(2-oxidanidyl-2-oxidanylidene-ethyl)hexanedioate dihydrate Openeye Name: calcium 3,4-diamino-3,4-bis(2-oxido-2-oxo-ethyl)hexanedioate dihydrate CAS Name: calcium 3,4-diamino-3,4-bis(2-oxido-2-oxoethyl)hexanedioate dihydrate IUPAC Name: calcium 3,4-diamino-3,4-bis(2-oxido-2-oxoethyl)hexanedioate dihydrate Traditional Name: calcium 3,4-diamino-3,4-bis(2-keto-2-oxido-ethyl)adipate dihydrate Formula: C10H16CaN2O10-2 MolecularWeight: 364.31944

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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.[Ca+2]

Isomeric SMILES

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

InChI

InChI=1S/C10H16N2O8.Ca.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;;/p-4