basic_info |
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| Product_Name: | [2-(4-ETHOXY-BENZENESULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL]-ACETIC ACID |
| CAS: | 554439-43-9 |
| EnglishSynonyms: | [2-(4-ETHOXY-BENZENESULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL]-ACETIC ACID |
| pro_mdlNumber: | MFCD03988522 |
| pro_acceptors: | 6 |
| pro_donors: | 1 |
| pro_smile: | CCOc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2CC(=O)O |
| InChi: | InChI=1S/C19H21NO5S/c1-2-25-15-7-9-16(10-8-15)26(23,24)20-12-11-14-5-3-4-6-17(14)18(20)13-19(21)22/h3-10,18H,2,11-13H2,1H3,(H,21,22) |
| InChiKey: | InChIKey=LFOWPNYNQJVOGO-UHFFFAOYSA-N |
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