basic_info |
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Product_Name: | CIS-2-[4-(TRIFLUOROMETHYLTHIO)BENZOYL]CYCLOHEXANE-1-CARBOXYLIC ACID |
EnglishSynonyms: | CIS-2-[4-(TRIFLUOROMETHYLTHIO)BENZOYL]CYCLOHEXANE-1-CARBOXYLIC ACID |
pro_mdlNumber: | MFCD23380163 |
pro_acceptors: | 3 |
pro_donors: | 1 |
pro_smile: | c1cc(ccc1C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)SC(F)(F)F |
InChi: | InChI=1S/C15H15F3O3S/c16-15(17,18)22-10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)14(20)21/h5-8,11-12H,1-4H2,(H,20,21)/t11-,12+/m1/s1 |
InChiKey: | InChIKey=HRGDRNHWWOKAFU-NEPJUHHUSA-N |
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