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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-(1-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:?)
RN: 1078723-13-3
InChIKey: GNFKIDSINHTZDU-JEFPKVEISA-N

Classification Code

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

Molecular Formula

  • C31-H24-Cl-N7-O16-S5.x-Na

Molecular Weight

  • 969.3366
 
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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-(1-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 1078723-13-3

System Generated Number

  • 1078723133

Structure Descriptors

InChI

1S/C31H24ClN7O16S5.Na/c32-29-35-30(33-17-5-7-18(8-6-17)56(41,42)12-11-55-60(52,53)54)37-31(36-29)34-25-26(28(59(49,50)51)23-4-2-1-3-22(23)27(25)40)39-38-24-15-20(58(46,47)48)14-16-13-19(57(43,44)45)9-10-21(16)24;/h1-10,13-15,40H,11-12H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H2,33,34,35,36,37);/q;+1/b39-38+;

InChIKey

GNFKIDSINHTZDU-JEFPKVEISA-N

Smiles

[Na+].Oc1c(Nc2nc(Cl)nc(Nc3ccc(cc3)S(=O)(=O)CCOS(=O)(=O)O)n2)c(N=Nc4cc(cc5cc(ccc45)S(=O)(=O)O)S(=O)(=O)O)c(c6ccccc16)S(=O)(=O)O