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

Systemtic Name: 2-[4,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-7-propan-2-yl-1,4,7,10-tetrazacyclododec-1-yl]ethanoate Openeye Name: 2-[7-isopropyl-4,10-bis(2-oxido-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate CAS Name: 2-[4,10-bis(2-oxido-2-oxoethyl)-7-propan-2-yl-1,4,7,10-tetrazacyclododec-1-yl]acetate IUPAC Name: 2-[4,10-bis(2-oxido-2-oxoethyl)-7-propan-2-yl-1,4,7,10-tetrazacyclododec-1-yl]acetate Traditional Name: 2-[7-isopropyl-4,10-bis(2-keto-2-oxido-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Formula: C17H29N4O6-3 MolecularWeight: 385.43536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CC(C)N1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C17H32N4O6/c1-14(2)21-9-7-19(12-16(24)25)5-3-18(11-15(22)23)4-6-20(8-10-21)13-17(26)27/h14H,3-13H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)/p-3