basic_info |
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Product_Name: | 5-硝基苯并[d]异噻唑-3-羧酸 |
CAS: | 70061-57-3 |
中文同义词: | 5-硝基苯并[d]异噻唑-3-羧酸 |
EnglishSynonyms: | 5-NITROBENZO[D]ISOTHIAZOLE-3-CARBOXYLIC ACID |
pro_mdlNumber: | MFCD11042718 |
pro_acceptors: | 6 |
pro_donors: | 1 |
pro_smile: | c1cc2c(cc1[N+](=O)[O-])c(ns2)C(=O)O |
InChi: | InChI=1S/C8H4N2O4S/c11-8(12)7-5-3-4(10(13)14)1-2-6(5)15-9-7/h1-3H,(H,11,12) |
InChiKey: | InChIKey=KCCBJGBBSOYPQI-UHFFFAOYSA-N |
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