basic_info |
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| Product_Name: | 1H-PYRROLE-1-ACETIC ACID, 2,5-DIHYDRO-A-[2-(METHYLTHIO)ETHYL]-2,5-DIOXO- |
| CAS: | 57079-10-4 |
| EnglishSynonyms: | 2-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-1-YL)-4-(METHYLSULFANYL)BUTANOIC ACID ; 2,5-DIHYDRO-A-[2-(METHYLTHIO)ETHYL]-2,5-DIOXO-1H-PYRROLE-1-ACETIC ACID ; 1H-PYRROLE-1-ACETIC ACID, 2,5-DIHYDRO-A-[2-(METHYLTHIO)ETHYL]-2,5-DIOXO- |
| pro_mdlNumber: | MFCD11641842 |
| pro_acceptors: | 5 |
| pro_donors: | 1 |
| pro_smile: | CSCCC(C(=O)O)N1C(=O)C=CC1=O |
| InChi: | InChI=1S/C9H11NO4S/c1-15-5-4-6(9(13)14)10-7(11)2-3-8(10)12/h2-3,6H,4-5H2,1H3,(H,13,14) |
| InChiKey: | InChIKey=ATFCLRKMRVDLPC-UHFFFAOYSA-N |
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