iron(3+); 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate

Systemtic Name: iron(3+); 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Openeye Name: ferric 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate CAS Name: iron(3+); 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate IUPAC Name: iron(3+); 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Traditional Name: ferric 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Formula: C12H19FeN4O6 MolecularWeight: 371.14746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N4O6.Fe/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