basic_info |
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| Product_Name: | 3,5-DIBROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 532419-51-5 |
| EnglishSynonyms: | BENZOIC ACID, 3,5-DIBROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]- ; 3,5-DIBROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03569885 |
| pro_acceptors: | 9 |
| pro_donors: | 3 |
| pro_smile: | CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O |
| InChi: | InChI=1S/C17H13Br2N3O6S/c1-2-28-13-4-3-8(5-12(13)22(26)27)15(23)21-17(29)20-14-10(16(24)25)6-9(18)7-11(14)19/h3-7H,2H2,1H3,(H,24,25)(H2,20,21,23,29) |
| InChiKey: | InChIKey=IDHBLOZOXZRVHM-UHFFFAOYSA-N |
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