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DACN(Tos2)
| Catalog | CCR1797508576 |
| CAS | 1797508-57-6 |
| Synonyms | N,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 Name | 1,5-Bis-(4-methylphenyl)sulfonyl-1,5-diazacyclonon-7-yne |
| Molecular Weight | 432.6 |
| Molecular Formula | C21H24N2O4S2 |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC#CC2)S(=O)(=O)C3=CC=C(C=C3)C |
| InChI | InChI=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 Key | MHCQOLBSDDIBOW-UHFFFAOYSA-N |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 747 |
| Exact Mass | 432.11774960 |
| Monoisotopic Mass | 432.11774960 |
| Topological Polar Surface Area | 91.5Ų |
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