1,4,8-Tritosyl-1,4,8,11-tetraazacyclotetradecane

Catalog Number	ACM104395699
CAS	104395-69-9
Structure
Synonyms	1,4,8-Tris-(4-Methylphenyl)Sulfonyl-1,4,8,11-Tetrazacyclotetradecane
IUPAC Name	1,4,8-tris-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane
Molecular Weight	662.88
Molecular Formula	C31H42N4O6S3
InChI	AGQXRPMVTPWIED-UHFFFAOYSA-N
InChI Key	InChI=1S/C31H42N4O6S3/c1-26-6-12-29(13-7-26)42(36,37)33-21-5-22-35(44(40,41)31-16-10-28(3)11-17-31)25-24-34(20-4-18-32-19-23-33)43(38,39)30-14-8-27(2)9-15-30/h6-17,32H,4-5,18-25H2,1-3H3
Melting Point	85-87 °C
Purity	98%
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCN(CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C