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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-
RN: 72987-39-4
InChIKey: JZWSGEZNRDXUIX-XAHDOWKMSA-N

Molecular Formula

  • C27-H22-Cl-N7-O16-S5

Molecular Weight

  • 896.2868
 
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Names and Synonyms

  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-
  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-

Registry Numbers

CAS Registry Number

  • 72987-39-4

System Generated Number

  • 0072987394

Structure Descriptors

InChI

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

InChIKey

JZWSGEZNRDXUIX-XAHDOWKMSA-N

Smiles

c1cc(cc(c1)S(=O)(=O)O)Nc2nc(nc(n2)Cl)Nc3cc(cc4c3c(c(c(c4)S(=O)(=O)O)/N=N/c5ccc(cc5)S(=O)(=O)CCOS(=O)(=O)O)O)S(=O)(=O)O