直接紫66

CAS号
679-83-4 ;6798-03-4
CCD编号
CCD00136323
分子式
C32 H19 Cu2 N7 O14 S4 . 2 Na
分子量
1026.87

基本信息

产品名称: 直接紫66
CAS: 679-83-4 ;6798-03-4
中文同义词: 直接紫66
英文同义词: DIRECT VIOLET 66 ; CI DIRECT VIOLET 66 ; DISODIUM [-[[7,7'-IMINOBIS[4-HYDROXY-3-[[2-HYDROXY-5-SULPHAMOYLPHENYL]AZO]NAPHTHALENE-2-SULPHONATO]]]]DICUPRATE
MDL号: MFCD00468021
氢键受体数量: 21
氢键供体数量: 3
Smile: c1cc2c(cc1Nc3ccc4c(c3)cc(c\5c4O[Cu]Oc6ccc(cc6/N=N5)S(=O)(=O)N)S(=O)(=O)[O-])cc(c\7c2O[Cu]Oc8ccc(cc8/N=N7)S(=O)(=O)N)S(=O)(=O)[O-].[Na+].[Na+]
InChi: InChI=1S/C32H25N7O14S4.2Cu.2Na/c33-54(44,45)19-3-7-25(40)23(13-19)36-38-29-27(56(48,49)50)11-15-9-17(1-5-21(15)31(29)42)35-18-2-6-22-16(10-18)12-28(57(51,52)53)30(32(22)43)39-37-24-14-20(55(34,46)47)4-8-26(24)41;;;;/h1-14,35,40-43H,(H2,33,44,45)(H2,34,46,47)(H,48,49,50)(H,51,52,53);;;;/q;2*+2;2*+1/p-6/b38-36+,39-37+;;;;
InChiKey: InChIKey=OHHRMPATRJSFJN-ZSUWMTHCSA-H

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