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Substance Name: 1-Naphthalenesulfonic acid, 4-hydroxy-3-(2-(4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)diazenyl)-, sodium salt (1:2)
RN: 113833-54-8
InChIKey: YITDTJIKENLNDU-JZYARHMISA-L

Molecular Formula

  • C25-H21-N3-O11-S3.2Na

Molecular Weight

  • 679.6131
 
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Names and Synonyms

Synonym

  • 1-Na phthalenesulfonic acid, 4-hydroxy-3-((4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)azo), sodium salt

Systematic Names

  • 1-Naphthalenesulfonic acid, 4-hydroxy-3-((4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)azo)-, disodium salt
  • 1-Naphthalenesulfonic acid, 4-hydroxy-3-(2-(4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)diazenyl)-, sodium salt (1:2)

Registry Numbers

CAS Registry Number

  • 113833-54-8

System Generated Number

  • 0113833548

Molecular Formulas

Molecular Formula

  • C25-H21-N3-O11-S3.2Na

Molecular Formula Fragments

  • C25-H21-N3-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H21N3O11S3.2Na/c29-24-21-7-2-1-6-20(21)23(41(33,34)35)15-22(24)28-27-17-10-8-16(9-11-17)25(30)26-18-4-3-5-19(14-18)40(31,32)13-12-39-42(36,37)38;;/h1-11,14-15,29H,12-13H2,(H,26,30)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b28-27+;;

InChIKey

YITDTJIKENLNDU-JZYARHMISA-L

Smiles

S(=O)(=O)(c1cc(c(c2c1cccc2)O)/N=N/c1ccc(C(=O)Nc2cc(S(=O)(=O)CCOS(=O)(=O)[O-])ccc2)cc1)[O-].[Na+].[Na+]