2-[4-(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate

Systemtic Name: 2-[4-(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate Openeye Name: 2-[4-(2-oxido-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate CAS Name: 2-[4-(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate IUPAC Name: 2-[4-(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Traditional Name: 2-[4-(2-keto-2-oxido-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Formula: C12H22N4O4-2 MolecularWeight: 286.32748

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCN(CCN1)CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1CNCCN(CCN(CCN1)CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C12H24N4O4/c17-11(18)9-15-5-3-13-1-2-14-4-6-16(8-7-15)10-12(19)20/h13-14H,1-10H2,(H,17,18)(H,19,20)/p-2