basic_info |
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Product_Name: | 2,9-DIBUTYL-ANTHRA2,1,9-DEF:6,5,10-D'E'F'DIISOQUINOLINE-1,3,8,10-TETRONE |
CAS: | 52000-75-6 |
EnglishSynonyms: | 2,9-DIBUTYL-ANTHRA2,1,9-DEF:6,5,10-D'E'F'DIISOQUINOLINE-1,3,8,10-TETRONE |
pro_mdlNumber: | MFCD09952499 |
pro_acceptors: | 6 |
pro_donors: | 0 |
pro_smile: | CCCCN1C(=O)c2ccc3c4ccc5c6c4c(ccc6C(=O)N(C5=O)CCCC)c7c3c2c(cc7)C1=O |
InChi: | InChI=1S/C32H26N2O4/c1-3-5-15-33-29(35)21-11-7-17-19-9-13-23-28-24(32(38)34(31(23)37)16-6-4-2)14-10-20(26(19)28)18-8-12-22(30(33)36)27(21)25(17)18/h7-14H,3-6,15-16H2,1-2H3 |
InChiKey: | InChIKey=CWHMZCIGSFLVHB-UHFFFAOYSA-N |
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