1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane

Catalog Number	ACM112193803
CAS	112193-80-3
Structure
Synonyms	1-Benzyl-4,7,10-Tris-(4-Methylphenyl)Sulfonyl-1,4,7,10-Tetrazacyclododecane
IUPAC Name	1-benzyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
Molecular Weight	724.95
Molecular Formula	C36H44N4O6S3
InChI	OZWGNPVYVRIYRI-UHFFFAOYSA-N
InChI Key	InChI=1S/C36H44N4O6S3/c1-30-9-15-34(16-10-30)47(41,42)38-23-21-37(29-33-7-5-4-6-8-33)22-24-39(48(43,44)35-17-11-31(2)12-18-35)26-28-40(27-25-38)49(45,46)36-19-13-32(3)14-20-36/h4-20H,21-29H2,1-3H3
Boiling Point	834.6±75.0 °C(Predicted)
Melting Point	161-164 °C
Purity	98%
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)CC5=CC=CC=C5