basic_info |
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Product_Name: | 5-(5-HYDROXYPENTANESULFONYL)-2-METHYLBENZOIC ACID |
EnglishSynonyms: | 5-(5-HYDROXYPENTANESULFONYL)-2-METHYLBENZOIC ACID |
pro_mdlNumber: | MFCD17044201 |
pro_acceptors: | 5 |
pro_donors: | 2 |
pro_smile: | Cc1ccc(cc1C(=O)O)S(=O)(=O)CCCCCO |
InChi: | InChI=1S/C13H18O5S/c1-10-5-6-11(9-12(10)13(15)16)19(17,18)8-4-2-3-7-14/h5-6,9,14H,2-4,7-8H2,1H3,(H,15,16) |
InChiKey: | InChIKey=OWWHLWCSQHXWFR-UHFFFAOYSA-N |
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