basic_info |
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Product_Name: | 2-氯-4-氟-1-(三氯甲基)苯 |
CAS: | 94139-17-0 |
中文同义词: | 2-氯-4-氟-1-(三氯甲基)苯 |
EnglishSynonyms: | SUCROSE TETRAMYRISTATE |
pro_mdlNumber: | MFCD21608195 |
pro_acceptors: | 15 |
pro_donors: | 4 |
pro_smile: | CCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(COC(=O)CCCCCCCCCCCCC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC |
InChi: | InChI=1S/C68H126O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-58(70)77-54-57-65(80-60(72)51-47-43-39-35-31-27-23-19-15-11-7-3)66(81-61(73)52-48-44-40-36-32-28-24-20-16-12-8-4)68(82-57,83-67-64(76)63(75)62(74)56(53-69)79-67)55-78-59(71)50-46-42-38-34-30-26-22-18-14-10-6-2/h56-57,62-67,69,74-76H,5-55H2,1-4H3/t56-,57-,62-,63+,64-,65-,66+,67-,68+/m1/s1 |
InChiKey: | InChIKey=CJGVTIKLCFYWDK-USTMQPAESA-N |
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