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Substance Name: 1,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:?)
RN: 1078722-58-3
InChIKey: FHHHMKLXLIPHLE-JEFPKVEISA-N

Classification Code

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

Molecular Formula

  • C31-H24-Cl-N7-O19-S6.x-Na

Molecular Weight

  • 1049.3996
 
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Names and Synonyms

  • 1,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 1078722-58-3

System Generated Number

  • 1078722583

Structure Descriptors

InChI

1S/C31H24ClN7O19S6.Na/c32-29-35-30(33-16-4-6-17(7-5-16)59(41,42)11-10-58-64(55,56)57)37-31(36-29)34-22-14-18(60(43,44)45)12-15-13-24(62(49,50)51)26(27(40)25(15)22)39-38-21-9-8-19-20(28(21)63(52,53)54)2-1-3-23(19)61(46,47)48;/h1-9,12-14,40H,10-11H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H2,33,34,35,36,37);/q;+1/b39-38+;

InChIKey

FHHHMKLXLIPHLE-JEFPKVEISA-N

Smiles

[Na+].Oc1c(N=Nc2ccc3c(cccc3c2S(=O)(=O)O)S(=O)(=O)O)c(cc4cc(cc(Nc5nc(Cl)nc(Nc6ccc(cc6)S(=O)(=O)CCOS(=O)(=O)O)n5)c14)S(=O)(=O)O)S(=O)(=O)O