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

Systemtic Name: ethanoic acid; 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Openeye Name: acetic acid; 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid CAS Name: acetic acid; 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid IUPAC Name: acetic acid; 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Traditional Name: acetic acid; 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Formula: C18H34N4O12 MolecularWeight: 498.48216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N4O6.3C2H4O2/c1-9-8-15(11(19)20)7-6-14(10(17)18)4-2-13-3-5-16(9)12(21)22;3*1-2(3)4/h9,13H,2-8H2,1H3,(H,17,18)(H,19,20)(H,21,22);3*1H3,(H,3,4)