basic_info |
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Product_Name: | 2-(TERT-BUTYLSULFANYL)-4-METHYLBENZOIC ACID |
EnglishSynonyms: | 2-(TERT-BUTYLSULFANYL)-4-METHYLBENZOIC ACID |
pro_mdlNumber: | MFCD16852963 |
pro_acceptors: | 2 |
pro_donors: | 1 |
pro_smile: | Cc1ccc(c(c1)SC(C)(C)C)C(=O)O |
InChi: | InChI=1S/C12H16O2S/c1-8-5-6-9(11(13)14)10(7-8)15-12(2,3)4/h5-7H,1-4H3,(H,13,14) |
InChiKey: | InChIKey=OJPJAAHLJQTKBF-UHFFFAOYSA-N |
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