DIRECT DYE

CAS号
CCD编号
CCD08157323
分子式
C42 H25 N8 O18 S5 . 5 Na
分子量
1204.98

基本信息

产品名称: DIRECT DYE
英文同义词: DIRECT DYE
MDL号: MFCD02684707
氢键受体数量: 26
氢键供体数量: 5
Smile: c1cc(ccc1c2ccc(cc2)/N=N/c3c(cc4cc(cc(c4c3O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c5c(cc6cc(ccc6c5O)/N=N\c7c(cc8cc(cc(c8c7O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChi: InChI=1S/C42H30N8O18S5.5Na/c43-30-17-27(69(54,55)56)12-22-15-33(72(63,64)65)38(41(52)35(22)30)49-46-25-7-3-20(4-8-25)19-1-5-24(6-2-19)45-48-37-32(71(60,61)62)14-21-11-26(9-10-29(21)40(37)51)47-50-39-34(73(66,67)68)16-23-13-28(70(57,58)59)18-31(44)36(23)42(39)53;;;;;/h1-18,51-53H,43-44H2,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;/q;5*+1/p-5/b48-45+,49-46+,50-47-;;;;;
InChiKey: InChIKey=PSUKSFUDQDPUAB-QEGGELOSSA-I

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