gallium 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate

Systemtic Name: gallium 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Openeye Name: gallium 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate CAS Name: gallium 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate IUPAC Name: gallium 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Traditional Name: gallium 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Formula: C12H19GaN4O6 MolecularWeight: 385.02546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN(CCNCCN1C(=O)[O-])C(=O)[O-])C(=O)[O-].[Ga+3]

Isomeric SMILES

CC1CN(CCN(CCNCCN1C(=O)[O-])C(=O)[O-])C(=O)[O-].[Ga+3]

InChI

InChI=1S/C12H22N4O6.Ga/c1-9-8-15(11(19)20)7-6-14(10(17)18)4-2-13-3-5-16(9)12(21)22;/h9,13H,2-8H2,1H3,(H,17,18)(H,19,20)(H,21,22);/q;+3/p-3