1,4,7-tris(4-methylbenzenesulfonyl)-1,4,7,10-tetraazacyclododecane

CAS: 94530-07-1

Formula: C29H38N4O6S3

SMILES: CC1=CC=C(C=C1)S(=O)(=O)N1CCNCCN(CCN(CC1)S(=O)(=O)C1=CC=C(C)C=C1)S(=O)(=O)C1=CC=C(C)C=C1

IUPAC: 1,4,7-tris(4-methylbenzenesulfonyl)-1,4,7,10-tetraazacyclododecane

InChI: InChI=1S/C29H38N4O6S3/c1-24-4-10-27(11-5-24)40(34,35)31-18-16-30-17-19-32(41(36,37)28-12-6-25(2)7-13-28)21-23-33(22-20-31)42(38,39)29-14-8-26(3)9-15-29/h4-15,30H,16-23H2,1-3H3

Composition: C (54.87%), H (6.03%), N (8.83%), O (15.12%), S (15.15%)

Molar Mass: 634.83

Atom Count: 80

Heavy Atom Count: 42