basic_info |
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| Product_Name: | 3,5-DIBROMO-2-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 532947-59-4 |
| EnglishSynonyms: | 3,5-DIBROMO-2-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 3,5-DIBROMO-2-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03573793 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CCc1ccc(cc1)OCC(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O |
| InChi: | InChI=1S/C18H16Br2N2O4S/c1-2-10-3-5-12(6-4-10)26-9-15(23)21-18(27)22-16-13(17(24)25)7-11(19)8-14(16)20/h3-8H,2,9H2,1H3,(H,24,25)(H2,21,22,23,27) |
| InChiKey: | InChIKey=AGTYALGRYOEZHX-UHFFFAOYSA-N |
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