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

Systemtic Name: 1,4,7,10-tetrakis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane Openeye Name: 1,4,7,10-tetrakis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane CAS Name: 1,4,7,10-tetrakis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,4,7,10-tetrakis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane Traditional Name: 1,4,7,10-tetrakis(4-tert-butylbenzyl)-1,4,7,10-tetrazacyclododecane Formula: C52H76N4 MolecularWeight: 757.18664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CCN(CCN(CC2)CC3=CC=C(C=C3)C(C)(C)C)CC4=CC=C(C=C4)C(C)(C)C)CC5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CCN(CCN(CC2)CC3=CC=C(C=C3)C(C)(C)C)CC4=CC=C(C=C4)C(C)(C)C)CC5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C52H76N4/c1-49(2,3)45-21-13-41(14-22-45)37-53-29-31-54(38-42-15-23-46(24-16-42)50(4,5)6)33-35-56(40-44-19-27-48(28-20-44)52(10,11)12)36-34-55(32-30-53)39-43-17-25-47(26-18-43)51(7,8)9/h13-28H,29-40H2,1-12H3