basic_info |
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Product_Name: | ACETIC ACID 3,4,6-TRI-ACO-5-(2,4-DINITRO-CYCLOHEXYLAMINO)-4H-PYRAN-2-YL-ME ESTER |
EnglishSynonyms: | ACETIC ACID 3,4,6-TRI-ACO-5-(2,4-DINITRO-CYCLOHEXYLAMINO)-4H-PYRAN-2-YL-ME ESTER |
pro_mdlNumber: | MFCD03419174 |
pro_acceptors: | 16 |
pro_donors: | 1 |
pro_smile: | CC(=O)OCC1[C@H]([C@@H](C([C@@H](O1)OC(=O)C)NC2CCC(CC2[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)OC(=O)C |
InChi: | InChI=1S/C20H29N3O13/c1-9(24)32-8-16-18(33-10(2)25)19(34-11(3)26)17(20(36-16)35-12(4)27)21-14-6-5-13(22(28)29)7-15(14)23(30)31/h13-21H,5-8H2,1-4H3/t13?,14?,15?,16?,17?,18-,19-,20-/m1/s1 |
InChiKey: | InChIKey=UCPFDBPCKOQFIK-IXQNOTLASA-N |
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