basic_info |
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| Product_Name: | BUTANEDIOIC ACID, (1,1-DIOXIDO-2(3H)-ISOTHIAZOLYL)-, DIMETHYL ESTER, (2S) |
| CAS: | 515130-06-0 |
| EnglishSynonyms: | BUTANEDIOIC ACID, (1,1-DIOXIDO-2(3H)-ISOTHIAZOLYL)-, DIMETHYL ESTER, (2S) |
| pro_mdlNumber: | MFCD08460301 |
| pro_acceptors: | 7 |
| pro_donors: | 0 |
| pro_smile: | COC(=O)C[C@@H](C(=O)OC)N1CC=CS1(=O)=O |
| InChi: | InChI=1S/C9H13NO6S/c1-15-8(11)6-7(9(12)16-2)10-4-3-5-17(10,13)14/h3,5,7H,4,6H2,1-2H3/t7-/m0/s1 |
| InChiKey: | InChIKey=SAXLQINIGHPVEL-ZETCQYMHSA-N |
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