basic_info |
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| Product_Name: | 3,5-DIBROMO-2-[[[[(2,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 532955-54-7 |
| EnglishSynonyms: | BENZOIC ACID, 3,5-DIBROMO-2-[[[[(2,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]- ; 3,5-DIBROMO-2-[[[[(2,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03574406 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | Cc1ccc(c(c1)C)OCC(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O |
| InChi: | InChI=1S/C18H16Br2N2O4S/c1-9-3-4-14(10(2)5-9)26-8-15(23)21-18(27)22-16-12(17(24)25)6-11(19)7-13(16)20/h3-7H,8H2,1-2H3,(H,24,25)(H2,21,22,23,27) |
| InChiKey: | InChIKey=INFPXLUNTLYDET-UHFFFAOYSA-N |
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