Benzenesulfonic acid,2-[(4-aminophenyl)amino]-5-nitro-, sodium salt (1:1)结构式

Benzenesulfonic acid,2-[(4-aminophenyl)amino]-5-nitro-, sodium salt (1:1)
英文名称:Benzenesulfonic acid,2-[(4-aminophenyl)amino]-5-nitro-, sodium salt (1:1)
CAS No.:14846-08-3
分子式:C12H10N3O5S-.Na+ 分子量:331.2797
Benzenesulfonic acid,2-[(4-aminophenyl)amino]-5-nitro-, sodium salt (1:1) 数据
Mol:
  0  0  0  0  0  0  0
   12.2369    2.3550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.1580    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580    6.2800    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580    7.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7280    6.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5880    6.2800    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  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  3  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 10  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
M  CHG  1   1   1
M  CHG  1  14   1
M  CHG  1  16  -1
M  CHG  1  22  -1
M  END                                
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Benzenesulfonic acid,2-[(4-aminophenyl)amino]-5-nitro-, sodium salt (1:1) Smile 编码:
[Na+].NC1C=CC(NC2C=CC([N+]([O-])=O)=CC=2S([O-])(=O)=O)=CC=1
Benzenesulfonic acid,2-[(4-aminophenyl)amino]-5-nitro-, sodium salt (1:1) InChi 编码:
InChI=1S/C12H11N3O5S.Na/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(16)17)7-12(11)21(18,19)20;/h1-7,14H,13H2,(H,18,19,20);/q;+1/p-1
Benzenesulfonic acid,2-[(4-aminophenyl)amino]-5-nitro-, sodium salt (1:1) InChiKey 编码:
XSXRGWHJJRBOGQ-UHFFFAOYSA-M