basic_info |
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| Product_Name: | 5-(Z)-7-(4-O-HYDROXYPHENYL-2-TRIFLUOROMETHYL-1,3 DIOXAN-CIS-5-YL)HEPTENOIC ACID |
| CAS: | 106393-80-0 |
| EnglishSynonyms: | 5-(Z)-7-(4-O-HYDROXYPHENYL-2-TRIFLUOROMETHYL-1,3 DIOXAN-CIS-5-YL)HEPTENOIC ACID ; ICI 185,282 |
| pro_mdlNumber: | MFCD00673935 |
| pro_acceptors: | 5 |
| pro_donors: | 2 |
| pro_smile: | c1ccc(c(c1)[C@@H]2[C@@H](CO[C@@H](O2)C(F)(F)F)C/C=C\CCCC(=O)O)O |
| InChi: | InChI=1S/C18H21F3O5/c19-18(20,21)17-25-11-12(7-3-1-2-4-10-15(23)24)16(26-17)13-8-5-6-9-14(13)22/h1,3,5-6,8-9,12,16-17,22H,2,4,7,10-11H2,(H,23,24)/b3-1-/t12-,16+,17+/m1/s1 |
| InChiKey: | InChIKey=ZWAVGFSZMACJHA-PMNBYGLBSA-N |
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