2-[6,9-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-1,3,6,9-tetrazacyclododec-12-yl]ethanoate

Systemtic Name: 2-[6,9-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-1,3,6,9-tetrazacyclododec-12-yl]ethanoate Openeye Name: 2-[6,9-bis(2-oxido-2-oxo-ethyl)-1,3,6,9-tetrazacyclododec-12-yl]acetate CAS Name: 2-[6,9-bis(2-oxido-2-oxoethyl)-1,3,6,9-tetrazacyclododec-12-yl]acetate IUPAC Name: 2-[6,9-bis(2-oxido-2-oxoethyl)-1,3,6,9-tetrazacyclododec-12-yl]acetate Traditional Name: 2-[6,9-bis(2-keto-2-oxido-ethyl)-1,3,6,9-tetrazacyclododec-12-yl]acetate Formula: C14H23N4O6-3 MolecularWeight: 343.35562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCNCNC1CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1CN(CCN(CCNCNC1CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C14H26N4O6/c19-12(20)7-11-1-3-17(8-13(21)22)5-6-18(9-14(23)24)4-2-15-10-16-11/h11,15-16H,1-10H2,(H,19,20)(H,21,22)(H,23,24)/p-3