basic_info |
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Product_Name: | DISPERSE BLUE 79:1 |
CAS: | 3618-73-3 ;3618-72-2 |
EnglishSynonyms: | DISPERSE BLUE 79:1 |
pro_mdlNumber: | MFCD00800416 |
pro_acceptors: | 16 |
pro_donors: | 1 |
pro_smile: | CC(=O)Nc1cc(c(cc1/N=N/c2c(cc(cc2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCOC(=O)C)CCOC(=O)C |
InChi: | InChI=1S/C23H25BrN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)/b27-26+ |
InChiKey: | InChIKey=JSRUDOBCTLPTFO-CYYJNZCTSA-N |
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