basic_info |
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Product_Name: | 5,5-DIMETHYL-2-((2-NITROPHENYL)THIO)-3-OXO-1-CYCLOHEXEN-1-YL 2-CHLOROBENZOATE |
EnglishSynonyms: | 5,5-DIMETHYL-2-((2-NITROPHENYL)THIO)-3-OXO-1-CYCLOHEXEN-1-YL 2-CHLOROBENZOATE |
pro_mdlNumber: | MFCD00839148 |
pro_acceptors: | 6 |
pro_donors: | 0 |
pro_smile: | CC1(CC(=C(C(=O)C1)Sc2ccccc2[N+](=O)[O-])OC(=O)c3ccccc3Cl)C |
InChi: | InChI=1S/C21H18ClNO5S/c1-21(2)11-16(24)19(29-18-10-6-5-9-15(18)23(26)27)17(12-21)28-20(25)13-7-3-4-8-14(13)22/h3-10H,11-12H2,1-2H3 |
InChiKey: | InChIKey=IMLOGDONUFNSQY-UHFFFAOYSA-N |
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