basic_info |
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| Product_Name: | 2-(4-CHLOROPHENYL)-2-[(2-ETHOXY-2-OXOETHYL)SULFANYL]PROPANOIC ACID |
| EnglishSynonyms: | 2-(4-CHLOROPHENYL)-2-[(2-ETHOXY-2-OXOETHYL)SULFANYL]PROPANOIC ACID |
| pro_mdlNumber: | MFCD13451186 |
| pro_acceptors: | 4 |
| pro_donors: | 1 |
| pro_smile: | ClC1=CC=C(C=C1)C(C(=O)O)(C)SCC(=O)OCC |
| InChi: | InChI=1S/C13H15ClO4S/c1-3-18-11(15)8-19-13(2,12(16)17)9-4-6-10(14)7-5-9/h4-7H,3,8H2,1-2H3,(H,16,17) |
| InChiKey: | InChIKey=BXWKZIJFRYLWIB-UHFFFAOYSA-N |
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