9,10-dimethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid

Systemtic Name: 9,10-dimethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Openeye Name: 9,10-dimethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid CAS Name: 9,10-dimethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid IUPAC Name: 9,10-dimethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Traditional Name: 9,10-dimethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Formula: C13H24N4O6 MolecularWeight: 332.35286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN(CCN(CCN1C)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1CN(CCN(CCN(CCN1C)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H24N4O6/c1-10-9-17(13(22)23)8-7-16(12(20)21)6-5-15(11(18)19)4-3-14(10)2/h10H,3-9H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)