basic_info |
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Product_Name: | DIRECT BLACK GBNB |
EnglishSynonyms: | DIRECT BLACK GBNB |
pro_mdlNumber: | MFCD01712765 |
pro_acceptors: | 18 |
pro_donors: | 7 |
pro_smile: | c1ccc(cc1)/N=N/c2c(cc3cc(c(c(c3c2O)N)/N=N/c4ccc(cc4)NC(=O)c5ccc(cc5)/N=N/c6ccc(cc6O)N)S(=O)(=O)O)S(=O)(=O)O |
InChi: | InChI=1S/C35H27N9O9S2/c36-21-8-15-26(27(45)18-21)42-39-24-9-6-19(7-10-24)35(47)38-22-11-13-25(14-12-22)41-43-32-28(54(48,49)50)16-20-17-29(55(51,52)53)33(34(46)30(20)31(32)37)44-40-23-4-2-1-3-5-23/h1-18,45-46H,36-37H2,(H,38,47)(H,48,49,50)(H,51,52,53)/b42-39+,43-41+,44-40+ |
InChiKey: | InChIKey=SIJMTVRUZVXCQD-AUVAVNHBSA-N |
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