basic_info |
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| Product_Name: | 2-CHLORO-5-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 535948-16-4 |
| EnglishSynonyms: | BENZOIC ACID, 2-CHLORO-5-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]- ; 2-CHLORO-5-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03572027 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | COc1c(cc(cc1Br)Br)/C=C/C(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl |
| InChi: | InChI=1S/C18H13Br2ClN2O4S/c1-27-16-9(6-10(19)7-13(16)20)2-5-15(24)23-18(28)22-11-3-4-14(21)12(8-11)17(25)26/h2-8H,1H3,(H,25,26)(H2,22,23,24,28)/b5-2+ |
| InChiKey: | InChIKey=NOBSKBDAUAMZRM-GORDUTHDSA-N |
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