basic_info |
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| Product_Name: | 3-[2-(PIPERIDIN-4-YLIDENE)-6-THIATRICYCLO[8.4.0.0(3,7)]TETRADECA-1(10),3(7),4,8,11,13-HEXAEN-5-YL]PROPANOIC ACID |
| CAS: | 1262518-49-9 |
| EnglishSynonyms: | 3-[2-(PIPERIDIN-4-YLIDENE)-6-THIATRICYCLO[8.4.0.0(3,7)]TETRADECA-1(10),3(7),4,8,11,13-HEXAEN-5-YL]PROPANOIC ACID |
| pro_mdlNumber: | MFCD18633076 |
| pro_acceptors: | 3 |
| pro_donors: | 2 |
| pro_smile: | c1ccc2c(c1)C=Cc3c(cc(s3)CCC(=O)O)C2=C4CCNCC4 |
| InChi: | InChI=1S/C21H21NO2S/c23-20(24)8-6-16-13-18-19(25-16)7-5-14-3-1-2-4-17(14)21(18)15-9-11-22-12-10-15/h1-5,7,13,22H,6,8-12H2,(H,23,24) |
| InChiKey: | InChIKey=IXVZSNDGWSZZHI-UHFFFAOYSA-N |
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