basic_info |
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| Product_Name: | 3-BUTYN-2-OL, 4,4'-(1,8-PYRENEDIYL)BIS[2-METHYL- |
| CAS: | 863643-48-5 |
| EnglishSynonyms: | 4,4'-(1,8-PYRENEDIYL)BIS[2-METHYL-3-BUTYN-2-OL] ; 3-BUTYN-2-OL, 4,4'-(1,8-PYRENEDIYL)BIS[2-METHYL- |
| pro_mdlNumber: | MFCD13248567 |
| pro_acceptors: | 2 |
| pro_donors: | 2 |
| pro_smile: | CC(C)(C#CC1C=Cc2ccc3c4c2c1ccc4C(C=C3)C#CC(C)(C)O)O |
| InChi: | InChI=1S/C26H24O2/c1-25(2,27)15-13-17-5-7-19-9-10-20-8-6-18(14-16-26(3,4)28)22-12-11-21(17)23(19)24(20)22/h5-12,17-18,27-28H,1-4H3 |
| InChiKey: | InChIKey=KHLGQJTZVKXDJO-UHFFFAOYSA-N |
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