basic_info |
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| Product_Name: | 3-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 532951-54-5 |
| EnglishSynonyms: | BENZOIC ACID, 3-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]- ; 3-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03574128 |
| pro_acceptors: | 9 |
| pro_donors: | 3 |
| pro_smile: | c1cc(cc(c1)NC(=S)NC(=O)COc2ccc(cc2)[N+](=O)[O-])C(=O)O |
| InChi: | InChI=1S/C16H13N3O6S/c20-14(9-25-13-6-4-12(5-7-13)19(23)24)18-16(26)17-11-3-1-2-10(8-11)15(21)22/h1-8H,9H2,(H,21,22)(H2,17,18,20,26) |
| InChiKey: | InChIKey=BDURZIBIWXHXRF-UHFFFAOYSA-N |
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