basic_info |
|
| Product_Name： | AURORA 489 |
| EnglishSynonyms： | AURORA 489 |
| pro_mdlNumber： | MFCD02331726 |
| pro_acceptors： | 6 |
| pro_donors： | 1 |
| pro_smile： | COC(=O)C1CCC2=C1C(C(=O)OC)=C(NC(=O)C1=CC=C(Br)C=C1)S2 |
| InChi： | InChI=1S/C18H16BrNO5S/c1-24-17(22)11-7-8-12-13(11)14(18(23)25-2)16(26-12)20-15(21)9-3-5-10(19)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,20,21) |
| InChiKey： | InChIKey=PBAGIEJNEFCCHB-UHFFFAOYSA-N |
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