basic_info |
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Product_Name: | 4,4'-二[[1-[[(2,4-二甲苯基)氨基]羰基]-2-氧代丙基]偶氮]-(1,1联苯)-2,2'-二磺酸 |
CAS: | 78952-69-9 |
中文同义词: | 4,4'-二[[1-[[(2,4-二甲苯基)氨基]羰基]-2-氧代丙基]偶氮]-(1,1联苯)-2,2'-二磺酸 |
EnglishSynonyms: | 4,4'-BIS([1-[(2,4-DIMETHYLPHENYL)AMINO]-1,3-DIOXO-2-BUTANYL]DIAZENYL)-2,2'-BIPHENYLDISULFONIC ACID ; 4,4'-BIS[[1-[[(2,4-DIMETHYLPHENYL)AMINO]CARBONYL]-2-OXOPROPYL]AZO][1,1'-BIPHENYL]-2,2'-DISULPHONIC ACID |
pro_mdlNumber: | MFCD23142888 |
pro_acceptors: | 16 |
pro_donors: | 4 |
pro_smile: | Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)/N=N/c2ccc(c(c2)S(=O)(=O)O)c3ccc(cc3S(=O)(=O)O)/N=N/C(C(=O)C)C(=O)Nc4ccc(cc4C)C |
InChi: | InChI=1S/C36H36N6O10S2/c1-19-7-13-29(21(3)15-19)37-35(45)33(23(5)43)41-39-25-9-11-27(31(17-25)53(47,48)49)28-12-10-26(18-32(28)54(50,51)52)40-42-34(24(6)44)36(46)38-30-14-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,37,45)(H,38,46)(H,47,48,49)(H,50,51,52)/b41-39+,42-40+ |
InChiKey: | InChIKey=ZVYYAZLGILHNEO-LMXNTIJMSA-N |
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