basic_info |
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| Product_Name: | 3-乙烯基-1,5-二氢-3H-2,4-苯并二噁庚英 |
| CAS: | 75449-06-8 |
| 中文同义词: | 3-乙烯基-1,5-二氢-3H-2,4-苯并二噁庚英 |
| EnglishSynonyms: | 1-PROPANONE, 3-(4-(4-CHLOROPHENYL)-1-PIPERAZINYL)-1-(4-METHYL-2-(METHYLTHIO)-5-THIAZOLYL)-, HYDROCHLORIDE, HYDRATE (2:2:1) |
| pro_mdlNumber: | MFCD01749190 |
| pro_acceptors: | 4 |
| pro_donors: | 0 |
| pro_smile: | Cc1c(sc(n1)SC)C(=O)CCN2CCN(CC2)c3ccc(cc3)Cl.Cc1c(sc(n1)SC)C(=O)CCN2CCN(CC2)c3ccc(cc3)Cl.O.Cl.Cl |
| InChi: | InChI=1S/2C18H22ClN3OS2.2ClH.H2O/c2*1-13-17(25-18(20-13)24-2)16(23)7-8-21-9-11-22(12-10-21)15-5-3-14(19)4-6-15;;;/h2*3-6H,7-12H2,1-2H3;2*1H;1H2 |
| InChiKey: | InChIKey=JLKWWXVNVPGVHX-UHFFFAOYSA-N |
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