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DACN(Tos,Ns)
| Catalog | CCR1797508587 |
| CAS | 1797508-58-7 |
| Synonyms | N-(o-Nitrobenzenesulfonyl)-N'-(p-toluenesulfonyl)-4,8-diazacyclononyne |
| IUPAC Name | 1-(4-Methylphenyl)sulfonyl-5-(2-nitrophenyl)sulfonyl-1,5-diazacyclonon-7-yne |
| Molecular Weight | 463.5 |
| Molecular Formula | C20H21N3O6S2 |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC#CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] |
| InChI | InChI=1S/C20H21N3O6S2/c1-17-9-11-18(12-10-17)30(26,27)21-13-4-5-14-22(16-6-15-21)31(28,29)20-8-3-2-7-19(20)23(24)25/h2-3,7-12H,6,13-16H2,1H3 |
| InChI Key | XYCTXUMNSSJWLT-UHFFFAOYSA-N |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 912 |
| Exact Mass | 463.08717775 |
| Monoisotopic Mass | 463.08717775 |
| Topological Polar Surface Area | 137Ų |
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