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

Systemtic Name: 2-[7-methanoyl-4,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate Openeye Name: 2-[7-formyl-4,10-bis(2-oxido-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate CAS Name: 2-[7-formyl-4,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate IUPAC Name: 2-[7-formyl-4,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Traditional Name: 2-[7-formyl-4,10-bis(2-keto-2-oxido-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Formula: C15H23N4O7-3 MolecularWeight: 371.36572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C=O)CC(=O)[O-]

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C=O)CC(=O)[O-]

InChI

InChI=1S/C15H26N4O7/c20-12-19-7-5-17(10-14(23)24)3-1-16(9-13(21)22)2-4-18(6-8-19)11-15(25)26/h12H,1-11H2,(H,21,22)(H,23,24)(H,25,26)/p-3