basic_info |
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| Product_Name: | 5-CHLORO-2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 531527-22-7 |
| EnglishSynonyms: | BENZOIC ACID, 5-CHLORO-2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]- ; 5-CHLORO-2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03565906 |
| pro_acceptors: | 9 |
| pro_donors: | 3 |
| pro_smile: | c1cc(cc(c1)[N+](=O)[O-])c2ccc(o2)C(=O)NC(=S)Nc3ccc(cc3C(=O)O)Cl |
| InChi: | InChI=1S/C19H12ClN3O6S/c20-11-4-5-14(13(9-11)18(25)26)21-19(30)22-17(24)16-7-6-15(29-16)10-2-1-3-12(8-10)23(27)28/h1-9H,(H,25,26)(H2,21,22,24,30) |
| InChiKey: | InChIKey=JDXXISMZICOFRR-UHFFFAOYSA-N |
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