2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid

Systemtic Name: 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Openeye Name: 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid CAS Name: 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid IUPAC Name: 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Traditional Name: 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Formula: C12H22N4O6 MolecularWeight: 318.32628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN(CCNCCN1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1CN(CCN(CCNCCN1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C12H22N4O6/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)