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Substance Name: Dipotassium hydrogen 4-((4,5-dihydro-3-methyl-5-oxo-1-(4-(((2-(sulphonatooxy)ethyl)amino)sulphonyl)phenyl)-1H-pyrazol-4-yl)azo)-N-(2-(sulphonatooxy)ethyl)toluene-2-sulphonamidate
RN: 83400-00-4
InChIKey: ISFPPQQYJSNQQE-JQCJJEDZSA-L

Molecular Formula

  • C21-H26-N6-O13-S4.2K

Molecular Weight

  • 774.9096
 
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Names and Synonyms

Synonym

  • EINECS 280-414-8

Systematic Name

  • Dipotassium hydrogen 4-((4,5-dihydro-3-methyl-5-oxo-1-(4-(((2-(sulphonatooxy)ethyl)amino)sulphonyl)phenyl)-1H-pyrazol-4-yl)azo)-N-(2-(sulphonatooxy)ethyl)toluene-2-sulphonamidate

Registry Numbers

CAS Registry Number

  • 83400-00-4

System Generated Number

  • 0083400004

Molecular Formulas

Molecular Formula

  • C21-H26-N6-O13-S4.2K

Molecular Formula Fragments

  • C21-H26-N6-O13-S4
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C21H26N6O13S4.2K/c1-14-3-4-16(13-19(14)42(31,32)23-10-12-40-44(36,37)38)24-25-20-15(2)26-27(21(20)28)17-5-7-18(8-6-17)41(29,30)22-9-11-39-43(33,34)35;;/h3-8,13,20,22-23H,9-12H2,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b25-24+;;

InChIKey

ISFPPQQYJSNQQE-JQCJJEDZSA-L

Smiles

Cc1ccc(cc1S(=O)(=O)NCCOS(=O)(=O)[O-])/N=N/C2C(=NN(C2=O)c3ccc(cc3)S(=O)(=O)NCCOS(=O)(=O)[O-])C.[K+].[K+]