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

Systemtic Name: 2-[4-(carboxymethyl)-7,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-4,10-diaza-1,7-diazoniacyclotridec-1-yl]ethanoate Openeye Name: 2-[4-(carboxymethyl)-7,10-bis(2-oxido-2-oxo-ethyl)-4,10-diaza-1,7-diazoniacyclotridec-1-yl]acetate CAS Name: 2-[4-(carboxymethyl)-7,10-bis(2-oxido-2-oxoethyl)-4,10-diaza-1,7-diazoniacyclotridec-1-yl]acetate IUPAC Name: 2-[4-(carboxymethyl)-7,10-bis(2-oxido-2-oxoethyl)-4,10-diaza-1,7-diazoniacyclotridec-1-yl]acetate Traditional Name: 2-[4-(carboxymethyl)-7,10-bis(2-keto-2-oxido-ethyl)-4,10-diaza-1,7-diazoniacyclotridec-1-yl]acetate Formula: C17H29N4O8- MolecularWeight: 417.43416

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(CC[NH+](CCN(C1)CC(=O)[O-])CC(=O)[O-])CC(=O)O)CC(=O)[O-]

Isomeric SMILES

C1C[NH+](CCN(CC[NH+](CCN(C1)CC(=O)[O-])CC(=O)[O-])CC(=O)O)CC(=O)[O-]

InChI

InChI=1S/C17H30N4O8/c22-14(23)10-18-2-1-3-19(11-15(24)25)5-7-21(13-17(28)29)9-8-20(6-4-18)12-16(26)27/h1-13H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/p-1