basic_info |
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| Product_Name: | 5-CHLORO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 535966-10-0 |
| EnglishSynonyms: | BENZOIC ACID, 5-CHLORO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]- ; 5-CHLORO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03572872 |
| pro_acceptors: | 9 |
| pro_donors: | 3 |
| pro_smile: | c1cc(ccc1[N+](=O)[O-])OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl |
| InChi: | InChI=1S/C16H12ClN3O6S/c17-9-1-6-13(12(7-9)15(22)23)18-16(27)19-14(21)8-26-11-4-2-10(3-5-11)20(24)25/h1-7H,8H2,(H,22,23)(H2,18,19,21,27) |
| InChiKey: | InChIKey=JDXXMGFLDMHGDV-UHFFFAOYSA-N |
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