2-[4-(carboxymethyl)-7,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]ethanoate

Systemtic Name: 2-[4-(carboxymethyl)-7,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]ethanoate Openeye Name: 2-[4-(carboxymethyl)-7,10-bis(2-oxido-2-oxo-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetate CAS Name: 2-[4-(carboxymethyl)-7,10-bis(2-oxido-2-oxoethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetate IUPAC Name: 2-[4-(carboxymethyl)-7,10-bis(2-oxido-2-oxoethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetate Traditional Name: 2-[4-(carboxymethyl)-7,10-bis(2-keto-2-oxido-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetate Formula: C16H27N4O8- MolecularWeight: 403.40758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+](CCN(CC[NH+]1CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)O

Isomeric SMILES

C1CN(CC[NH+](CCN(CC[NH+]1CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)O

InChI

InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)/p-1