basic_info |
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| Product_Name: | 3,5-DIBROMO-2-[[[(2,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 531540-21-3 |
| EnglishSynonyms: | 3,5-DIBROMO-2-[[[(2,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 3,5-DIBROMO-2-[[[(2,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03567182 |
| pro_acceptors: | 5 |
| pro_donors: | 3 |
| pro_smile: | c1cc(c(cc1I)C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O)I |
| InChi: | InChI=1S/C15H8Br2I2N2O3S/c16-6-3-9(14(23)24)12(10(17)4-6)20-15(25)21-13(22)8-5-7(18)1-2-11(8)19/h1-5H,(H,23,24)(H2,20,21,22,25) |
| InChiKey: | InChIKey=LPKFFVSXPSLLTP-UHFFFAOYSA-N |
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