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Substance Name: EINECS 280-832-0
RN: 83783-96-4
InChIKey: UGBLETZRRVJENL-UOEHFNFDSA-I

Classification Code

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

Molecular Formula

  • C34-H26-N6-O17-S5.x-C5-H13-N-O2.x-Li.x-Na

Molecular Weight

  • 1147.91
 
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Names and Synonyms

Results Name

  • EINECS 280-832-0

Synonym

  • EINECS 280-832-0

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-amino-3-((4-(2-(4-((7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-2-sulfophenyl)ethenyl)-3-sulfophenyl)azo)-4-hydroxy-, lithium sodium salt, compd. with 2,2'-(methylimino)bis(ethanol)
  • 2,7-Naphthalenedisulfonic acid, 5-amino-3-(2-(4-(2-(4-(2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-2-sulfophenyl)ethenyl)-3-sulfophenyl)diazenyl)-4-hydroxy-, lithium sodium salt, compd. with 2,2'-(methylimino)bis(ethanol) (1:?:?:?)

Registry Numbers

CAS Registry Number

  • 83783-96-4

System Generated Number

  • 0083783964

Molecular Formulas

Molecular Formula

  • C34-H26-N6-O17-S5.x-C5-H13-N-O2.x-Li.x-Na

Molecular Formula Fragments

  • C34-H26-N6-O17-S5
  • C5-H13-N-O2
  • COMPONENT
  • Li
  • Na

Structure Descriptors

InChI

1S/C34H26N6O17S5.C5H13NO2.2Li.3Na/c35-20-6-4-18-11-28(61(52,53)54)31(33(41)23(18)13-20)40-38-25-8-2-16(9-27(25)60(49,50)51)1-3-17-5-7-21(14-26(17)59(46,47)48)37-39-32-29(62(55,56)57)12-19-10-22(58(43,44)45)15-24(36)30(19)34(32)42;1-6(2-4-7)3-5-8;;;;;/h1-15,41-42H,35-36H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);7-8H,2-5H2,1H3;;;;;/q;;5*+1/p-5/b3-1+,39-37+,40-38+;;;;;;

InChIKey

UGBLETZRRVJENL-UOEHFNFDSA-I

Smiles

[Na+].[Li+].[Na+].[Na+].N(C)(CCO)CCO.S(c1cc2c(c(c1)N)c(c(c(c2)S([O-])(=O)=O)\N=N\c1cc(S([O-])(=O)=O)c(cc1)\C=C\c1cc(c(cc1)\N=N\c1c(c2cc(ccc2cc1S([O-])(=O)=O)N)O)S(=O)([O-])=O)O)([O-])(=O)=O.[Li+]