basic_info |
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| Product_Name： | 3-NITRO-4-(2-PYRIDYLTHIO)BENZOIC ACID |
| CAS： | 219930-74-2 |
| EnglishSynonyms： | 3-NITRO-4-(2-PYRIDYLTHIO)BENZOIC ACID ; 3-NITRO-4-(PYRIDIN-2-YLSULFANYL)BENZOIC ACID |
| pro_mdlNumber： | MFCD00828787 |
| pro_acceptors： | 6 |
| pro_donors： | 1 |
| pro_smile： | c1ccnc(c1)Sc2ccc(cc2[N+](=O)[O-])C(=O)O |
| InChi： | InChI=1S/C12H8N2O4S/c15-12(16)8-4-5-10(9(7-8)14(17)18)19-11-3-1-2-6-13-11/h1-7H,(H,15,16) |
| InChiKey： | InChIKey=VHSWWOQCRUCNDE-UHFFFAOYSA-N |
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