3,3'-[碳酰双[亚胺基(3-甲氧基-4,1-亚苯基)偶氮基]]二苯磺酰钠

CAS号
10114-86-0
CCD编号
CCD08275944
分子式
C27 H22 N6 O9 S2 . 2 Na
分子量
684.616

基本信息

产品名称: 3,3'-[碳酰双[亚胺基(3-甲氧基-4,1-亚苯基)偶氮基]]二苯磺酰钠
CAS: 10114-86-0
中文同义词: 3,3'-[碳酰双[亚胺基(3-甲氧基-4,1-亚苯基)偶氮基]]二苯磺酰钠
英文同义词: DISODIUM 3,3'-[CARBONYLBIS[IMINO(3-METHOXY-4,1-PHENYLENE)AZO]]BIS[BENZENESULPHONATE]
MDL号: MFCD23160443
氢键受体数量: 15
氢键供体数量: 2
Smile: COc1cc(ccc1NC(=O)Nc2ccc(cc2OC)/N=N/c3cccc(c3)S(=O)(=O)[O-])/N=N/c4cccc(c4)S(=O)(=O)[O-].[Na+].[Na+]
InChi: InChI=1S/C27H24N6O9S2.2Na/c1-41-25-15-19(32-30-17-5-3-7-21(13-17)43(35,36)37)9-11-23(25)28-27(34)29-24-12-10-20(16-26(24)42-2)33-31-18-6-4-8-22(14-18)44(38,39)40;;/h3-16H,1-2H3,(H2,28,29,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b32-30+,33-31+;;
InChiKey: InChIKey=MFZGSFUTGDGCSC-WKLYGGTQSA-L

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