Analyte Name

1,4-Bis((4,8,11-tritosyl-1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene

CAS Number

110078-47-2

Molecular Formula

C70H90N8O12S6

Molecular Weight

1427.89

Accurate Mass

1426.5

SMILES

O=S(=O)(C1=CC=C(C=C1)C)N2CCN(CC3=CC=C(C=C3)CN4CCN(CCCN(CCN(CCC4)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C)S(=O)(=O)C7=CC=C(C=C7)C)CCCN(CCN(CCC2)S(=O)(=O)C8=CC=C(C=C8)C)S(=O)(=O)C9=CC=C(C=C9)C

InChI

InChI=1S/C70H90N8O12S6/c1-57-11-27-65(28-12-57)91(79,80)73-43-9-45-77(95(87,88)69-35-19-61(5)20-36-69)53-51-75(93(83,84)67-31-15-59(3)16-32-67)41-7-39-71(47-49-73)55-63-23-25-64(26-24-63)56-72-40-8-42-76(94(85,86)68-33-17-60(4)18-34-68)52-54-78(96(89,90)70-37-21-62(6)22-38-70)46-10-44-74(50-48-72)92(81,82)66-29-13-58(2)14-30-66/h11-38H,7-10,39-56H2,1-6H3

IUPAC

1,4-Bis((4,8,11-tritosyl-1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene

Country of Origin

CANADA

Product Format

Neat