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Substance Name: 2-Naphthalenesulfonic acid, 6-(2-(4-amino-2-hydroxyphenyl)diazenyl)-3-(2-(4-((4-(2-(7-(2-(4-amino-2-hydroxyphenyl)diazenyl)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)phenyl)amino)-3-sulfophenyl)diazenyl)-4-hydroxy-, sodium salt (1:3)
RN: 79057-88-8
InChIKey: VBESMCXNVSSFNS-JOYDAXQDSA-K

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C44-H33-N11-O13-S3.3Na

Molecular Weight

  • 1085.95
 
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Names and Synonyms

Synonym

  • EINECS 279-047-6

Systematic Names

  • 2-Naphthalenesulfonic acid, 6-((4-amino-2-hydroxyphenyl)azo)-3-((4-((4-((7-((4-amino-2-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-4-hydroxy-, trisodium salt
  • 2-Naphthalenesulfonic acid, 6-(2-(4-amino-2-hydroxyphenyl)diazenyl)-3-(2-(4-((4-(2-(7-(2-(4-amino-2-hydroxyphenyl)diazenyl)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)phenyl)amino)-3-sulfophenyl)diazenyl)-4-hydroxy-, sodium salt (1:3)
  • Trisodium 6-((4-amino-2-hydroxyphenyl)azo)-3-((4-((4-((7-((4-amino-2-hydroxyphenyl)azo)-1-hydroxy-3-sulphonato-2-naphthyl)azo)phenyl)amino)-3-sulphonatophenyl)azo)-4-hydroxynaphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 79057-88-8

System Generated Number

  • 0079057888

Molecular Formulas

Molecular Formula

  • C44-H33-N11-O13-S3.3Na

Molecular Formula Fragments

  • C44-H33-N11-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H33N11O13S3.3Na/c45-24-3-12-33(36(56)17-24)52-49-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)54-48-27-9-7-26(8-10-27)47-35-14-11-30(21-38(35)69(60,61)62)51-55-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)50-53-34-13-4-25(46)18-37(34)57;;;/h1-21,47,56-59H,45-46H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q;3*+1/p-3/b52-49+,53-50+,54-48+,55-51+;;;

InChIKey

VBESMCXNVSSFNS-JOYDAXQDSA-K

Smiles

[Na+].[Na+].[Na+].c1c(c(c(c2cc(ccc12)\N=N\c1c(cc(cc1)N)O)O)\N=N\c1cc(c(cc1)Nc1ccc(cc1)\N=N\c1c(c2cc(ccc2cc1S(=O)(=O)[O-])\N=N\c1c(cc(cc1)N)O)O)S(=O)(=O)[O-])S(=O)(=O)[O-]