basic_info |
|
| Product_Name： | AURORA 12129 |
| EnglishSynonyms： | AURORA 12129 |
| pro_mdlNumber： | MFCD03537100 |
| pro_acceptors： | 5 |
| pro_donors： | 2 |
| pro_smile： | CC1=CC(OCCCC(=O)NC2=C(C(N)=O)C3=C(CCCC3)S2)=C(C)C=C1 |
| InChi： | InChI=1S/C21H26N2O3S/c1-13-9-10-14(2)16(12-13)26-11-5-8-18(24)23-21-19(20(22)25)15-6-3-4-7-17(15)27-21/h9-10,12H,3-8,11H2,1-2H3,(H2,22,25)(H,23,24) |
| InChiKey： | InChIKey=HYPTXQDSXDEUQZ-UHFFFAOYSA-N |
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