basic_info |
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| Product_Name: | 4-CHLORO-3-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 532938-79-7 |
| EnglishSynonyms: | 4-CHLORO-3-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 4-CHLORO-3-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03568595 |
| pro_acceptors: | 8 |
| pro_donors: | 3 |
| pro_smile: | c1cc(c(cc1C(=O)O)NC(=S)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)Cl |
| InChi: | InChI=1S/C15H9Cl2N3O5S/c16-9-3-2-8(14(22)23)5-11(9)18-15(26)19-13(21)7-1-4-10(17)12(6-7)20(24)25/h1-6H,(H,22,23)(H2,18,19,21,26) |
| InChiKey: | InChIKey=OPRFBQYZEZLZTR-UHFFFAOYSA-N |
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