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

Systemtic Name: 2-[bis[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate hydrate Openeye Name: 2-[bis[2-[bis(2-oxido-2-oxo-ethyl)amino]ethyl]amino]acetate hydrate CAS Name: 2-[bis[2-[bis(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate hydrate IUPAC Name: 2-[bis[2-[bis(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate hydrate Traditional Name: 2-[bis[2-[bis(2-keto-2-oxido-ethyl)amino]ethyl]amino]acetate hydrate Formula: C14H20N3O11-5 MolecularWeight: 406.3221

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Descriptors Computed from Structure

Canonical SMILES:

C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O

Isomeric SMILES

C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O

InChI

InChI=1S/C14H23N3O10.H2O/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);1H2/p-5