basic_info |
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| Product_Name: | 5-HYDROXY-3-METHYL-1-(6-NITRO-2-BENZOTHIAZOLYL)-1H-PYRAZOLE-4-ACETIC A CID |
| CAS: | 84968-81-0 |
| EnglishSynonyms: | 5-HYDROXY-3-METHYL-1-(6-NITRO-2-BENZOTHIAZOLYL)-1H-PYRAZOLE-4-ACETIC A CID |
| pro_mdlNumber: | MFCD01693750 |
| pro_acceptors: | 9 |
| pro_donors: | 2 |
| pro_smile: | Cc1c(c(n(n1)c2nc3ccc(cc3s2)[N+](=O)[O-])O)CC(=O)O |
| InChi: | InChI=1S/C13H10N4O5S/c1-6-8(5-11(18)19)12(20)16(15-6)13-14-9-3-2-7(17(21)22)4-10(9)23-13/h2-4,20H,5H2,1H3,(H,18,19) |
| InChiKey: | InChIKey=KOJBQDFVVJEDMZ-UHFFFAOYSA-N |
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