3-azanyl-3,4-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-4-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]hexanedioate dihydrate

Systemtic Name: 3-azanyl-3,4-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-4-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]hexanedioate dihydrate Openeye Name: 3-amino-3,4-bis(2-oxido-2-oxo-ethyl)-4-[(2-oxido-2-oxo-ethyl)amino]hexanedioate dihydrate CAS Name: 3-amino-3,4-bis(2-oxido-2-oxoethyl)-4-[(2-oxido-2-oxoethyl)amino]hexanedioate dihydrate IUPAC Name: 3-amino-3,4-bis(2-oxido-2-oxoethyl)-4-[(2-oxido-2-oxoethyl)amino]hexanedioate dihydrate Traditional Name: 3-amino-3,4-bis(2-keto-2-oxido-ethyl)-4-[(2-keto-2-oxido-ethyl)amino]adipate dihydrate Formula: C12H17N2O12-5 MolecularWeight: 381.26958

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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-])NCC(=O)[O-])N.O.O

Isomeric SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(CC(=O)[O-])(CC(=O)[O-])NCC(=O)[O-])N.O.O

InChI

InChI=1S/C12H18N2O10.2H2O/c13-11(1-6(15)16,2-7(17)18)12(3-8(19)20,4-9(21)22)14-5-10(23)24;;/h14H,1-5,13H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24);2*1H2/p-5