Benzenesulfonicacid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-hydroxyphenyl)diazenyl]-, potassium salt(1:4)结构式

Benzenesulfonicacid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-hydroxyphenyl)diazenyl]-, potassium salt(1:4)
英文名称:Benzenesulfonicacid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-hydroxyphenyl)diazenyl]-, potassium salt(1:4)
CAS No.:94134-52-8
分子式:2[C26H18N4O8S2-2].4[K+] 分子量:1313.53944
Benzenesulfonicacid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-hydroxyphenyl)diazenyl]-, potassium salt(1:4) 数据
Mol:
0  0  0  0  0  0  0  0  0  0
    9.5176    5.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8773    7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8773    9.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369   10.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369   11.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966   12.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9563   11.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3159   12.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6756   11.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0352   12.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0352   14.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3949   14.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7546   14.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1142   14.9150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7546   12.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3949   11.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9563   10.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966    9.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8773   12.5600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6623   13.9197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5176   13.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0923   11.2003    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.1580    9.4200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   10.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7280    9.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5880    9.4200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 28  1  0  0  0  0
 25 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 22  1  0  0  0  0
 23 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  2  0  0  0  0
 37 40  1  0  0  0  0
 16 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  2  0  0  0  0
 41 44  1  0  0  0  0
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 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 59 54  1  0  0  0  0
 57 60  1  0  0  0  0
 60 61  2  0  0  0  0
 61 62  1  0  0  0  0
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 63 64  1  0  0  0  0
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 73 74  2  0  0  0  0
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 76 62  1  0  0  0  0
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 56 81  1  0  0  0  0
 81 82  2  0  0  0  0
 81 83  2  0  0  0  0
 81 84  1  0  0  0  0
M  CHG  1   1   1
M  CHG  1   2   1
M  CHG  1   3   1
M  CHG  1   4   1
M  CHG  1  40  -1
M  CHG  1  44  -1
M  CHG  1  80  -1
M  CHG  1  84  -1
M  END                                
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Benzenesulfonicacid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-hydroxyphenyl)diazenyl]-, potassium salt(1:4) Smile 编码:
[K+].[K+].[K+].[K+].O=C1C=C/C(=N\NC2C=CC(/C=C/C3C=CC(N/N=C4/C=CC(=O)C=C/4)=CC=3S([O-])(=O)=O)=C(S([O-])(=O)=O)C=2)/C=C1.O=C1C=C/C(=N/NC2C=CC(/C=C/C3C=CC(N/N=C4/C=CC(=O)C=C/4)=CC=3S([O-])(=O)=O)=C(S([O-])(=O)=O)C=2)/C=C1
Benzenesulfonicacid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-hydroxyphenyl)diazenyl]-, potassium salt(1:4) InChi 编码:
InChI=1S/2C26H20N4O8S2.4K/c2*31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;;;/h2*1-16,29-30H,(H,33,34,35)(H,36,37,38);;;;/q;;4*+1/p-4/b2*2-1+;;;;
Benzenesulfonicacid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-hydroxyphenyl)diazenyl]-, potassium salt(1:4) InChiKey 编码:
WAHVNOIKGHRVPJ-UTMFBWBUSA-J