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DACN(Tos2)
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DACN(Tos2)

Catalog NumberCCR1797508576
CAS1797508-57-6
SynonymsN,N'-Bis(p-toluenesulfonyl)-4,8-diazacyclononyne
1,5-Ditosyl-2,3,4,5,6,9-hexahydro-7,8-didehydro-1H-1,5-diazonine
IUPAC Name1,5-Bis-(4-methylphenyl)sulfonyl-1,5-diazacyclonon-7-yne
Molecular Weight432.6
Molecular FormulaC21H24N2O4S2
Canonical SMILESCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC#CC2)S(=O)(=O)C3=CC=C(C=C3)C
InChIInChI=1S/C21H24N2O4S2/c1-18-6-10-20(11-7-18)28(24,25)22-14-3-4-15-23(17-5-16-22)29(26,27)21-12-8-19(2)9-13-21/h6-13H,5,14-17H2,1-2H3
InChI KeyMHCQOLBSDDIBOW-UHFFFAOYSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity747
Exact Mass432.11774960
Monoisotopic Mass432.11774960
Topological Polar Surface Area91.5Ų

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