basic_info |
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| Product_Name: | 6-(4-(4-METHYLPHENYLSULFINYL)BUTOXY)-4,4-DIMETHYL-4H-3,1-BENZOXAZIN-2-ONE |
| CAS: | 89431-79-8 |
| EnglishSynonyms: | 6-(4-(4-METHYLPHENYLSULFINYL)BUTOXY)-4,4-DIMETHYL-4H-3,1-BENZOXAZIN-2-ONE |
| pro_mdlNumber: | MFCD01765723 |
| pro_acceptors: | 5 |
| pro_donors: | 2 |
| pro_smile: | Cc1ccc(cc1)S(=N)CCCCOc2ccc3c(c2)C(OC(=O)N3)(C)C |
| InChi: | InChI=1S/C21H26N2O3S/c1-15-6-9-17(10-7-15)27(22)13-5-4-12-25-16-8-11-19-18(14-16)21(2,3)26-20(24)23-19/h6-11,14,22H,4-5,12-13H2,1-3H3,(H,23,24) |
| InChiKey: | InChIKey=UAIDLBRWKHHFPL-UHFFFAOYSA-N |
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