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Substance Name: Disodium hydrogen 4-((4-((((5-hydroxy-7-sulphonato-2-naphthyl)amino)carbonyl)amino)-5-methoxy-o-tolyl)azo)-5-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonate
RN: 83949-44-4
InChIKey: AGNRGRUSTZUISH-IJASDNILSA-L

Molecular Formula

  • C35-H28-N4-O15-S4.2Na

Molecular Weight

  • 916.8474
 
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Names and Synonyms

Synonym

  • EINECS 281-405-1

Systematic Name

  • Disodium hydrogen 4-((4-((((5-hydroxy-7-sulphonato-2-naphthyl)amino)carbonyl)amino)-5-methoxy-o-tolyl)azo)-5-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 83949-44-4

System Generated Number

  • 0083949444

Molecular Formulas

Molecular Formula

  • C35-H28-N4-O15-S4.2Na

Molecular Formula Fragments

  • C35-H28-N4-O15-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H28N4O15S4.2Na/c1-19-10-29(37-35(41)36-22-8-9-27-20(11-22)12-25(16-31(27)40)56(45,46)47)32(53-2)18-28(19)38-39-30-15-24(55(42,43)44)13-21-14-26(57(48,49)50)17-33(34(21)30)54-58(51,52)23-6-4-3-5-7-23;;/h3-18,40H,1-2H3,(H2,36,37,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b39-38-;;

InChIKey

AGNRGRUSTZUISH-IJASDNILSA-L

Smiles

Cc1cc(c(cc1/N=N\c2cc(cc3c2c(cc(c3)S(=O)(=O)[O-])OS(=O)(=O)c4ccccc4)S(=O)(=O)O)OC)NC(=O)Nc5ccc6c(c5)cc(cc6O)S(=O)(=O)[O-].[Na+].[Na+]