荧光增白剂113

CAS号
12768-92-2
CCD编号
CCD02308345
分子式
C40 H42 N12 O10 S2 . 2 Na
分子量
960.958

基本信息

产品名称: 荧光增白剂113
CAS: 12768-92-2
中文同义词: 荧光增白剂113
英文同义词: FLUORESCENT BRIGHTENER 113
MDL号: MFCD14636465
氢键受体数量: 22
氢键供体数量: 4
Smile: CCON(c1nc(nc(n1)Nc2ccc(c(c2)S(=O)(=O)[O-])/C=C/c3ccc(cc3S(=O)(=O)[O-])Nc4nc(nc(n4)N(OCC)OCC)Nc5ccccc5)Nc6ccccc6)OCC.[Na+].[Na+]
InChi: InChI=1S/C40H44N12O10S2.2Na/c1-5-59-51(60-6-2)39-47-35(41-29-15-11-9-12-16-29)45-37(49-39)43-31-23-21-27(33(25-31)63(53,54)55)19-20-28-22-24-32(26-34(28)64(56,57)58)44-38-46-36(42-30-17-13-10-14-18-30)48-40(50-38)52(61-7-3)62-8-4;;/h9-26H,5-8H2,1-4H3,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b20-19+;;
InChiKey: InChIKey=JUBLHYOQMVXSEM-LLIZZRELSA-L

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