gadolinium(3+); 2-methyl-1-oxa-4,7,10-triazacyclododecane-4,7,10-tricarboxylate

Systemtic Name: gadolinium(3+); 2-methyl-1-oxa-4,7,10-triazacyclododecane-4,7,10-tricarboxylate Openeye Name: gadolinium(3+); 2-methyl-1-oxa-4,7,10-triazacyclododecane-4,7,10-tricarboxylate CAS Name: gadolinium(3+); 2-methyl-1-oxa-4,7,10-triazacyclododecane-4,7,10-tricarboxylate IUPAC Name: gadolinium(3+); 2-methyl-1-oxa-4,7,10-triazacyclododecane-4,7,10-tricarboxylate Traditional Name: gadolinium(3+); 2-methyl-1-oxa-4,7,10-triazacyclododecane-4,7,10-tricarboxylate Formula: C12H18GdN3O7 MolecularWeight: 473.53722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN(CCN(CCO1)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Gd+3]

Isomeric SMILES

CC1CN(CCN(CCN(CCO1)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Gd+3]

InChI

InChI=1S/C12H21N3O7.Gd/c1-9-8-15(12(20)21)5-4-13(10(16)17)2-3-14(11(18)19)6-7-22-9;/h9H,2-8H2,1H3,(H,16,17)(H,18,19)(H,20,21);/q;+3/p-3