1,4,7-tris[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1,4,7-tris[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane Openeye Name: 1,4,7-tris[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane CAS Name: 1,4,7-tris[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,4,7-tris[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane Traditional Name: 1,4,7-tris(4-tert-butylbenzyl)-1,4,7,10-tetrazacyclododecane Formula: C41H62N4 MolecularWeight: 610.95778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCNCCN(CCN(CC2)CC3=CC=C(C=C3)C(C)(C)C)CC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCNCCN(CCN(CC2)CC3=CC=C(C=C3)C(C)(C)C)CC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C41H62N4/c1-39(2,3)36-16-10-33(11-17-36)30-43-24-22-42-23-25-44(31-34-12-18-37(19-13-34)40(4,5)6)27-29-45(28-26-43)32-35-14-20-38(21-15-35)41(7,8)9/h10-21,42H,22-32H2,1-9H3