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DACN(Tos2,6-OH)
| Catalog Number | CCR2109751746 |
| CAS | 2109751-74-6 |
| IUPAC Name | 1,5-Bis-(4-methylphenyl)sulfonyl-1,5-diazacyclonon-7-yn-3-ol |
| Molecular Weight | 448.6 |
| Molecular Formula | C21H24N2O5S2 |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC#CCN(CC(C2)O)S(=O)(=O)C3=CC=C(C=C3)C |
| InChI | InChI=1S/C21H24N2O5S2/c1-17-5-9-20(10-6-17)29(25,26)22-13-3-4-14-23(16-19(24)15-22)30(27,28)21-11-7-18(2)8-12-21/h5-12,19,24H,13-16H2,1-2H3 |
| InChI Key | PKNMISHKRVDSMU-UHFFFAOYSA-N |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 779 |
| Exact Mass | 448.11266422 |
| Monoisotopic Mass | 448.11266422 |
| Topological Polar Surface Area | 112Ų |
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