1-methyl-1,4,7,10-tetrazacyclododecane-2,2,3,3-tetracarboxylic acid

Systemtic Name: 1-methyl-1,4,7,10-tetrazacyclododecane-2,2,3,3-tetracarboxylic acid Openeye Name: 1-methyl-1,4,7,10-tetrazacyclododecane-2,2,3,3-tetracarboxylic acid CAS Name: 1-methyl-1,4,7,10-tetrazacyclododecane-2,2,3,3-tetracarboxylic acid IUPAC Name: 1-methyl-1,4,7,10-tetrazacyclododecane-2,2,3,3-tetracarboxylic acid Traditional Name: 1-methyl-1,4,7,10-tetrazacyclododecane-2,2,3,3-tetracarboxylic acid Formula: C13H22N4O8 MolecularWeight: 362.33578

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCCNCCNC(C1(C(=O)O)C(=O)O)(C(=O)O)C(=O)O

Isomeric SMILES

CN1CCNCCNCCNC(C1(C(=O)O)C(=O)O)(C(=O)O)C(=O)O

InChI

InChI=1S/C13H22N4O8/c1-17-7-6-15-3-2-14-4-5-16-12(8(18)19,9(20)21)13(17,10(22)23)11(24)25/h14-16H,2-7H2,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)