basic_info |
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Product_Name: | TRANS-4-TRIFLUOROMETHYL-CYCLOHEXANOL-3',5'-DINITROBENZOATE |
CAS: | 75091-95-1 |
EnglishSynonyms: | TRANS-4-TRIFLUOROMETHYL-CYCLOHEXANOL-3',5'-DINITROBENZOATE |
pro_mdlNumber: | MFCD23380160 |
pro_acceptors: | 8 |
pro_donors: | 0 |
pro_smile: | c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O[C@@H]2CC[C@H](CC2)C(F)(F)F |
InChi: | InChI=1S/C14H13F3N2O6/c15-14(16,17)9-1-3-12(4-2-9)25-13(20)8-5-10(18(21)22)7-11(6-8)19(23)24/h5-7,9,12H,1-4H2/t9-,12- |
InChiKey: | InChIKey=PVQPOYQMEWBCBY-OTCDBFHCSA-N |
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