basic_info |
|
| Product_Name: | C8-ALKYNE-DU-CEP |
| CAS: | 938186-76-6 |
| EnglishSynonyms: | C8-ALKYNE-DU-CEP ; 5-OCTADIYNYL-DU CEP |
| pro_mdlNumber: | MFCD10687025 |
| pro_acceptors: | 12 |
| pro_donors: | 1 |
| pro_smile: | CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(c2ccccc2)(c3ccc(cc3)OC)c4ccc(cc4)OC)n5cc(c(=O)[nH]c5=O)C#CCCCCC#C |
| InChi: | InChI=1S/C47H55N4O8P/c1-8-9-10-11-12-14-18-36-32-50(46(53)49-45(36)52)44-31-42(59-60(57-30-17-29-48)51(34(2)3)35(4)5)43(58-44)33-56-47(37-19-15-13-16-20-37,38-21-25-40(54-6)26-22-38)39-23-27-41(55-7)28-24-39/h1,13,15-16,19-28,32,34-35,42-44H,9-12,17,30-31,33H2,2-7H3,(H,49,52,53)/t42-,43+,44+,60?/m0/s1 |
| InChiKey: | InChIKey=MKSBKPPIZWOEHY-SSOUGYATSA-N |
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