basic_info |
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Product_Name: | 2-(4-异硫氰基苯甲基)-1,4,7-三氮杂环壬烷-1,4,7-三乙酸 |
CAS: | 127448-92-4 |
中文同义词: | 2-(4-异硫氰基苯甲基)-1,4,7-三氮杂环壬烷-1,4,7-三乙酸 |
EnglishSynonyms: | 4-(2,6-DIHYDROXYBENZOYL)-3-FORMYL-5-HYDROXYBENZOIC ACID |
pro_mdlNumber: | MFCD00888620 |
pro_acceptors: | 7 |
pro_donors: | 4 |
pro_smile: | c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O)C=O)O |
InChi: | InChI=1S/C15H10O7/c16-6-8-4-7(15(21)22)5-11(19)12(8)14(20)13-9(17)2-1-3-10(13)18/h1-6,17-19H,(H,21,22) |
InChiKey: | InChIKey=INVAPAXTQZQLGN-UHFFFAOYSA-N |
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