trisodium 3-azanyl-4-(1-hydroxyethylamino)-3,4-bis(2-oxidanidyl-2-oxidanylidene-ethyl)hexanedioate

Systemtic Name: trisodium 3-azanyl-4-(1-hydroxyethylamino)-3,4-bis(2-oxidanidyl-2-oxidanylidene-ethyl)hexanedioate Openeye Name: trisodium 3-amino-4-(1-hydroxyethylamino)-3,4-bis(2-oxido-2-oxo-ethyl)hexanedioate CAS Name: trisodium 3-amino-4-(1-hydroxyethylamino)-3,4-bis(2-oxido-2-oxoethyl)hexanedioate IUPAC Name: trisodium 3-amino-4-(1-hydroxyethylamino)-3,4-bis(2-oxido-2-oxoethyl)hexanedioate Traditional Name: trisodium 3-amino-4-(1-hydroxyethylamino)-3,4-bis(2-keto-2-oxido-ethyl)adipate Formula: C12H16N2Na3O9- MolecularWeight: 401.23275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O9.3Na/c1-6(15)14-12(4-9(20)21,5-10(22)23)11(13,2-7(16)17)3-8(18)19;;;/h6,14-15H,2-5,13H2,1H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23);;;/q;3*+1/p-4