2-[1,2-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,7-triazonan-2-yl]ethanoate

Systemtic Name: 2-[1,2-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,7-triazonan-2-yl]ethanoate Openeye Name: 2-[1,2-bis(2-oxido-2-oxo-ethyl)-1,4,7-triazonan-2-yl]acetate CAS Name: 2-[1,2-bis(2-oxido-2-oxoethyl)-1,4,7-triazonan-2-yl]acetate IUPAC Name: 2-[1,2-bis(2-oxido-2-oxoethyl)-1,4,7-triazonan-2-yl]acetate Traditional Name: 2-[1,2-bis(2-keto-2-oxido-ethyl)-1,4,7-triazonan-2-yl]acetate Formula: C12H18N3O6-3 MolecularWeight: 300.28782

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(N(CCN1)CC(=O)[O-])(CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1CNCC(N(CCN1)CC(=O)[O-])(CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C12H21N3O6/c16-9(17)5-12(6-10(18)19)8-14-2-1-13-3-4-15(12)7-11(20)21/h13-14H,1-8H2,(H,16,17)(H,18,19)(H,20,21)/p-3