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DACN(Tos,Suc-OH)
| Catalog Number | CCR2109751688 |
| CAS | 2109751-68-8 |
| Synonyms | 4-Oxo-4-(5-tosyl-2,3,4,5,6,9-hexahydro-7,8-didehydro-1H-1,5-diazonine-1-yl)butanoic acid |
| IUPAC Name | 4-[5-(4-Methylphenyl)sulfonyl-1,5-diazacyclonon-7-yn-1-yl]-4-oxobutanoic acid |
| Molecular Weight | 378.4 |
| Molecular Formula | C18H22N2O5S |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC#CC2)C(=O)CCC(=O)O |
| InChI | InChI=1S/C18H22N2O5S/c1-15-5-7-16(8-6-15)26(24,25)20-13-3-2-11-19(12-4-14-20)17(21)9-10-18(22)23/h5-8H,4,9-14H2,1H3,(H,22,23) |
| InChI Key | GXAZNIVCKZZIOG-UHFFFAOYSA-N |
| Application | CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction |
| Complexity | 677 |
| Exact Mass | 378.12494298 |
| Monoisotopic Mass | 378.12494298 |
| Topological Polar Surface Area | 103 Ų |
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