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Substance Name: 1,4-Benzenedisulfonic acid, 2-(2-(6-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, lithium sodium salt (1:?:?)
RN: 1078153-94-2
InChIKey: AZUKFEZLEIWSHK-KGNAMTJXSA-N

Classification Code

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

Molecular Formula

  • C27-H22-Cl-N7-O16-S5.x-Li.x-Na

Molecular Weight

  • 926.2178
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 1078153-94-2

System Generated Number

  • 1078153942

Structure Descriptors

InChI

1S/C27H22ClN7O16S5.Li.Na/c28-25-31-26(29-15-1-4-17(5-2-15)52(37,38)10-9-51-56(48,49)50)33-27(32-25)30-16-3-7-19-14(11-16)12-22(55(45,46)47)23(24(19)36)35-34-20-13-18(53(39,40)41)6-8-21(20)54(42,43)44;;/h1-8,11-13,36H,9-10H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,29,30,31,32,33);;/q;2*+1/b35-34+;;

InChIKey

AZUKFEZLEIWSHK-KGNAMTJXSA-N

Smiles

[Li+].[Na+].Oc1c(N=Nc2cc(ccc2S(=O)(=O)O)S(=O)(=O)O)c(cc3cc(Nc4nc(Cl)nc(Nc5ccc(cc5)S(=O)(=O)CCOS(=O)(=O)O)n4)ccc13)S(=O)(=O)O