basic_info |
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| Product_Name： | 3-ETHYL-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID 2-BENZYL ESTER |
| CAS： | 128773-39-7 |
| EnglishSynonyms： | 3-ETHYL-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID 2-BENZYL ESTER |
| pro_mdlNumber： | MFCD00229099 |
| pro_acceptors： | 5 |
| pro_donors： | 2 |
| pro_smile： | CCc1c(c([nH]c1C(=O)OCc2ccccc2)C)C(=O)O |
| InChi： | InChI=1S/C16H17NO4/c1-3-12-13(15(18)19)10(2)17-14(12)16(20)21-9-11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3,(H,18,19) |
| InChiKey： | InChIKey=TUBOTLTXTFEKRA-UHFFFAOYSA-N |
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