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Substance Name: EINECS 277-449-6
RN: 73398-51-3
InChIKey: PRNSJPKDFLLHNR-ZXKDDXFLSA-J

Classification Code

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

Molecular Formula

  • C40-H36-N10-O17-S4.4Na

Molecular Weight

  • 1144.97
 
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Names and Synonyms

Results Name

  • EINECS 277-449-6

Synonym

  • EINECS 277-449-6

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-((4-((4-((2-hydroxyethyl)amino)-6-((5-hydroxy-6-((2-methoxy-5-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)azo)-, tetrasodium salt
  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(2-(4-((4-((2-hydroxyethyl)amino)-6-((5-hydroxy-6-(2-(2-methoxy-5-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)diazenyl)-, sodium salt (1:4)

Registry Numbers

CAS Registry Number

  • 73398-51-3

System Generated Number

  • 0073398513

Molecular Formulas

Molecular Formula

  • C40-H36-N10-O17-S4.4Na

Molecular Formula Fragments

  • C40-H36-N10-O17-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H36N10O17S4.4Na/c1-19-10-28(33(67-3)18-27(19)47-49-30-16-24(69(57,58)59)12-21-13-25(70(60,61)62)17-31(52)35(21)30)43-40-45-38(41-8-9-51)44-39(46-40)42-22-4-6-26-20(11-22)14-34(71(63,64)65)36(37(26)53)50-48-29-15-23(68(54,55)56)5-7-32(29)66-2;;;;/h4-7,10-18,51-53H,8-9H2,1-3H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H3,41,42,43,44,45,46);;;;/q;4*+1/p-4/b49-47+,50-48+;;;;

InChIKey

PRNSJPKDFLLHNR-ZXKDDXFLSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].c1c(cc(c2c(cc(cc12)S(=O)(=O)[O-])\N=N\c1c(cc(c(c1)OC)Nc1nc(nc(n1)NCCO)Nc1cc2cc(c(c(c2cc1)O)\N=N\c1c(ccc(c1)S(=O)(=O)[O-])OC)S(=O)(=O)[O-])C)O)S(=O)(=O)[O-]