gadolinium(3+); 2-[4,8,11-tris(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanoate

Systemtic Name: gadolinium(3+); 2-[4,8,11-tris(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanoate Openeye Name: gadolinium(3+); 2-[4,8,11-tris(2-oxido-2-oxo-ethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate CAS Name: gadolinium(3+); 2-[4,8,11-tris(2-oxido-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate IUPAC Name: gadolinium(3+); 2-[4,8,11-tris(2-oxido-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate Traditional Name: gadolinium(3+); 2-[4,8,11-tris(2-keto-2-oxido-ethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate Formula: C18H28GdN4O8- MolecularWeight: 585.68692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCCN(CCN(C1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

Isomeric SMILES

C1CN(CCN(CCCN(CCN(C1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

InChI

InChI=1S/C18H32N4O8.Gd/c23-15(24)11-19-3-1-4-20(12-16(25)26)8-10-22(14-18(29)30)6-2-5-21(9-7-19)13-17(27)28;/h1-14H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30);/q;+3/p-4