basic_info |
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Product_Name: | IOXABROLIC ACID |
CAS: | 96191-65-0 |
EnglishSynonyms: | IOXABROLIC ACID |
pro_mdlNumber: | MFCD00867922 |
pro_acceptors: | 13 |
pro_donors: | 6 |
pro_smile: | CC(=O)N(C)c1c(c(c(c(c1Br)C(=O)NCC(=O)Nc2c(c(c(c(c2I)C(=O)O)I)C(=O)NCCO)I)Br)C(=O)NC)Br |
InChi: | InChI=1S/C24H21Br3I3N5O8/c1-7(37)35(3)20-14(26)9(21(39)31-2)13(25)10(15(20)27)22(40)33-6-8(38)34-19-17(29)11(23(41)32-4-5-36)16(28)12(18(19)30)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,41)(H,33,40)(H,34,38)(H,42,43) |
InChiKey: | InChIKey=OJCPHFBLBNKCNX-UHFFFAOYSA-N |
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