basic_info |
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| Product_Name: | 1-BENZOXEPIN-5(2H)-ONE, 3,4-DIHYDRO-4-((4-METHOXYPHENYL)METHYLENE)-6,8,9-TRIMETHYL- |
| CAS: | 124392-68-3 |
| EnglishSynonyms: | 1-BENZOXEPIN-5(2H)-ONE, 3,4-DIHYDRO-4-((4-METHOXYPHENYL)METHYLENE)-6,8,9-TRIMETHYL- ; 3,4-DIHYDRO-4-((4-METHOXYPHENYL)METHYLENE)-6,8,9-TRIMETHYL-1-BENZOXEPIN-5(2H)-ONE |
| pro_mdlNumber: | MFCD01751412 |
| pro_acceptors: | 3 |
| pro_donors: | 0 |
| pro_smile: | Cc1cc(c2c(c1C)OCC/C(=C\c3ccc(cc3)OC)/C2=O)C |
| InChi: | InChI=1S/C21H22O3/c1-13-11-14(2)19-20(22)17(9-10-24-21(19)15(13)3)12-16-5-7-18(23-4)8-6-16/h5-8,11-12H,9-10H2,1-4H3/b17-12+ |
| InChiKey: | InChIKey=TUPADJLQVBXVPH-SFQUDFHCSA-N |
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