basic_info |
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Product_Name: | 反-1,2-环己二甲胺 |
CAS: | 128201-92-3 |
中文同义词: | 反-1,2-环己二甲胺 |
EnglishSynonyms: | 6-O-(3-ETHOXYPROPIONYL)-3',4'-O-EXO-BENZYLIDENECHARTREUSIN |
pro_mdlNumber: | MFCD00886599 |
pro_acceptors: | 16 |
pro_donors: | 2 |
pro_smile: | CCOCCC(=O)Oc1c2cccc(c2c3c4c1c(=O)oc5c4c(c(cc5)C)c(=O)o3)O[C@H]6[C@@H]([C@@H]7[C@H]([C@H](O6)C)O[C@H](O7)c8ccccc8)O[C@@H]9[C@@H]([C@H]([C@H]([C@H](O9)C)O)OC)O |
InChi: | InChI=1S/C44H44O16/c1-6-51-18-17-26(45)56-35-23-13-10-14-24(28(23)36-30-29-25(54-41(49)31(30)35)16-15-19(2)27(29)40(48)57-36)55-44-39(60-43-33(47)37(50-5)32(46)20(3)52-43)38-34(21(4)53-44)58-42(59-38)22-11-8-7-9-12-22/h7-16,20-21,32-34,37-39,42-44,46-47H,6,17-18H2,1-5H3/t20-,21-,32+,33-,34+,37+,38+,39-,42-,43-,44+/m1/s1 |
InChiKey: | InChIKey=YAZCVTSUQIJVMZ-LCWPTPQHSA-N |
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