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gadolinium(3+); hydron; 2-[6-methyl-4,7,10-tris(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate

gadolinium(3+); hydron; 2-[6-methyl-4,7,10-tris(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate

Systemtic Name:gadolinium(3+); hydron; 2-[6-methyl-4,7,10-tris(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate
Openeye Name:gadolinium(3+); hydron; 2-[6-methyl-4,7,10-tris(2-oxido-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CAS Name:gadolinium(3+); hydron; 2-[6-methyl-4,7,10-tris(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
IUPAC Name:gadolinium(3+); hydron; 2-[6-methyl-4,7,10-tris(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
Traditional Name:gadolinium(3+); hydron; 2-[4,7,10-tris(2-keto-2-oxido-ethyl)-6-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetate
Formula: C17H27GdN4O8
MolecularWeight: 572.66828
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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]


Isomeric SMILES

[H+].CC1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]


InChI

InChI=1S/C17H30N4O8.Gd/c1-13-8-20(11-16(26)27)5-4-18(9-14(22)23)2-3-19(10-15(24)25)6-7-21(13)12-17(28)29;/h13H,2-12H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3


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