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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)-3-(2-(2,5-disulfophenyl)diazenyl)-4-hydroxy-, lithium sodium salt (1:?:?)
RN: 1078161-11-1
InChIKey: LFVHQIAFYXTKBB-KGNAMTJXSA-N

Classification Code

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

Molecular Formula

  • C27-H22-Cl-N7-O19-S6.x-Li.x-Na

Molecular Weight

  • 1006.2808
 
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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)-3-(2-(2,5-disulfophenyl)diazenyl)-4-hydroxy-, lithium sodium salt (1:?:?)

Registry Numbers

CAS Registry Number

  • 1078161-11-1

System Generated Number

  • 1078161111

Structure Descriptors

InChI

1S/C27H22ClN7O19S6.Li.Na/c28-25-31-26(29-14-1-3-15(4-2-14)55(37,38)8-7-54-60(51,52)53)33-27(32-25)30-19-12-17(57(42,43)44)9-13-10-21(59(48,49)50)23(24(36)22(13)19)35-34-18-11-16(56(39,40)41)5-6-20(18)58(45,46)47;;/h1-6,9-12,36H,7-8H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,29,30,31,32,33);;/q;2*+1/b35-34+;;

InChIKey

LFVHQIAFYXTKBB-KGNAMTJXSA-N

Smiles

[Li+].[Na+].Oc1c(N=Nc2cc(ccc2S(=O)(=O)O)S(=O)(=O)O)c(cc3cc(cc(Nc4nc(Cl)nc(Nc5ccc(cc5)S(=O)(=O)CCOS(=O)(=O)O)n4)c13)S(=O)(=O)O)S(=O)(=O)O