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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:3)
RN: 80156-96-3
InChIKey: QNNRLTIVYBQNGV-FEISSGSOSA-K

Classification Code

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

Molecular Formula

  • C27-H22-Cl-N7-O13-S4.3Na

Molecular Weight

  • 882.1701
 
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Names and Synonyms

  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:3)
  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(phenylazo)-, trisodium salt

Registry Numbers

CAS Registry Number

  • 80156-96-3

System Generated Number

  • 0080156963

Molecular Formulas

Molecular Formula

  • C27-H22-Cl-N7-O13-S4.3Na

Molecular Formula Fragments

  • C27-H22-Cl-N7-O13-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H22ClN7O13S4.3Na/c28-25-31-26(29-16-6-8-18(9-7-16)49(37,38)11-10-48-52(45,46)47)33-27(32-25)30-20-14-19(50(39,40)41)12-15-13-21(51(42,43)44)23(24(36)22(15)20)35-34-17-4-2-1-3-5-17;;;/h1-9,12-14,36H,10-11H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33);;;/q;3*+1/p-3/b35-34+;;;

InChIKey

QNNRLTIVYBQNGV-FEISSGSOSA-K

Smiles

c1ccc(cc1)/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)Cl)Nc5ccc(cc5)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]