basic_info |
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| Product_Name: | 4-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 532944-43-7 |
| EnglishSynonyms: | 4-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 4-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03571148 |
| pro_acceptors: | 9 |
| pro_donors: | 3 |
| pro_smile: | c1cc(ccc1C(=O)O)NC(=S)NC(=O)COc2ccc(cc2)[N+](=O)[O-] |
| InChi: | InChI=1S/C16H13N3O6S/c20-14(9-25-13-7-5-12(6-8-13)19(23)24)18-16(26)17-11-3-1-10(2-4-11)15(21)22/h1-8H,9H2,(H,21,22)(H2,17,18,20,26) |
| InChiKey: | InChIKey=HDXYJEIHJKWZJQ-UHFFFAOYSA-N |
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