basic_info |
|
| Product_Name: | 冠4烯 |
| CAS: | 74568-07-3 |
| 中文同义词: | 冠4烯 |
| EnglishSynonyms: | HONGHUI-MED 220390010000 |
| pro_mdlNumber: | MFCD11870872 |
| pro_acceptors: | 4 |
| pro_donors: | 4 |
| pro_smile: | c1ccc(cc1)/C/2=c/3\cc/c(=C(/C4C=C/C(=C(/c5ccc([nH]5)/C(=C\6/C=CC2N6)/c7ccccc7)\c8ccccc8)/N4)\c9ccccc9)/[nH]3 |
| InChi: | InChI=1S/C44H34N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,33,38,45-48H/b41-34-,42-35-,43-36-,44-40- |
| InChiKey: | InChIKey=BEBXMOKZXSNYSO-HCVUDOQSSA-N |
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