C.I.直接蓝202

pro_cas
28407-37-6 ;10401-50-0
pro_cdbregno
CCD00248425
pro_formula
C32 H16 Cu2 N6 O16 S4 . 4 Na
pro_molWeight
1087.82

basic_info

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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