2-[4,7-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-10-(2-oxidanylbutyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate; gadolinium(3+)

Systemtic Name: 2-[4,7-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-10-(2-oxidanylbutyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate; gadolinium(3+) Openeye Name: gadolinium(3+); 2-[4-(2-hydroxybutyl)-7,10-bis(2-oxido-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate CAS Name: gadolinium(3+); 2-[4-(2-hydroxybutyl)-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate IUPAC Name: gadolinium(3+); 2-[4-(2-hydroxybutyl)-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Traditional Name: gadolinium(3+); 2-[4-(2-hydroxybutyl)-7,10-bis(2-keto-2-oxido-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Formula: C18H31GdN4O7 MolecularWeight: 572.71134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3]

Isomeric SMILES

CCC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3]

InChI

InChI=1S/C18H34N4O7.Gd/c1-2-15(23)11-19-3-5-20(12-16(24)25)7-9-22(14-18(28)29)10-8-21(6-4-19)13-17(26)27;/h15,23H,2-14H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3