basic_info |
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| Product_Name: | C.I.直接蓝202 |
| CAS: | 28407-37-6 ;10401-50-0 |
| 中文同义词: | C.I.直接蓝202 |
| EnglishSynonyms: | DIRECTBLUE218 ; CI DIRECT BLUE 218 |
| pro_mdlNumber: | MFCD01734151 |
| pro_acceptors: | 22 |
| pro_donors: | 2 |
| pro_smile: | c1cc\2c(cc1c3ccc\4c(c3)O[Cu]Oc5c6c(cc(cc6N)S(=O)(=O)[O-])cc(c5/N=N4)S(=O)(=O)[O-])O[Cu]Oc7c8c(cc(cc8N)S(=O)(=O)[O-])cc(c7/N=N2)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChi: | InChI=1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;2*+2;4*+1/p-8/b37-35+,38-36+;;;;;; |
| InChiKey: | InChIKey=GWEZPAIPHHUMTI-ZBJMQJRBSA-F |
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