basic_info |
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Product_Name: | 5,5-DIMETHYL-2-(2-(3-NITROPHENYL)ACETYL)CYCLOHEXANE-1,3-DIONE |
EnglishSynonyms: | 5,5-DIMETHYL-2-(2-(3-NITROPHENYL)ACETYL)CYCLOHEXANE-1,3-DIONE |
pro_mdlNumber: | MFCD18633492 |
pro_acceptors: | 6 |
pro_donors: | 0 |
pro_smile: | CC1(CC(=O)C(C(=O)C1)C(=O)Cc2cccc(c2)[N+](=O)[O-])C |
InChi: | InChI=1S/C16H17NO5/c1-16(2)8-13(19)15(14(20)9-16)12(18)7-10-4-3-5-11(6-10)17(21)22/h3-6,15H,7-9H2,1-2H3 |
InChiKey: | InChIKey=OXTRHHMMPMGSNG-UHFFFAOYSA-N |
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