tris(phenylmethyl) 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate

Systemtic Name: tris(phenylmethyl) 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Openeye Name: tribenzyl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate CAS Name: 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tris(phenylmethyl) ester IUPAC Name: tribenzyl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Traditional Name: 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tribenzyl ester Formula: C32H38N4O6 MolecularWeight: 574.66732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(CCN(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C32H38N4O6/c37-30(40-24-27-10-4-1-5-11-27)34-18-16-33-17-19-35(31(38)41-25-28-12-6-2-7-13-28)21-23-36(22-20-34)32(39)42-26-29-14-8-3-9-15-29/h1-15,33H,16-26H2