basic_info |
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Product_Name: | 9-(4'-DIMETHYLAMINOPHENYL)-2,6,7-TRIHYDROXYFLUORONE SULFATE HYDRATE |
CAS: | 71501-19-4 |
EnglishSynonyms: | 9-(4'-DIMETHYLAMINOPHENYL)-2,6,7-TRIHYDROXYFLUORONE SULFATE HYDRATE ; DIMETHYLAMINOPHENYLFLUORONE HYDRATE |
pro_mdlNumber: | MFCD20259664 |
pro_acceptors: | 6 |
pro_donors: | 3 |
pro_smile: | CN(C)c1ccc(cc1)c2c3cc(c(cc3oc-4cc(=O)c(cc24)O)O)O.O.OS(=O)(=O)O |
InChi: | InChI=1S/C21H17NO5.H2O4S.H2O/c1-22(2)12-5-3-11(4-6-12)21-13-7-15(23)17(25)9-19(13)27-20-10-18(26)16(24)8-14(20)21;1-5(2,3)4;/h3-10,23-25H,1-2H3;(H2,1,2,3,4);1H2 |
InChiKey: | InChIKey=ZDZCHZFQURQUOV-UHFFFAOYSA-N |
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