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Substance Name: Tetrasodium 7-((6-((4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)naphthalene-1,3,6-trisulphonate
RN: 85959-00-8
InChIKey: YZDPNAXQESKVNE-RTBGNPICSA-J

Molecular Formula

  • C29-H20-Cl-N7-O13-S4.4Na

Molecular Weight

  • 926.1584
 
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Names and Synonyms

Synonym

  • EINECS 288-989-7

Systematic Names

  • 1,3,6-Naphthalenetrisulfonic acid, 7-((6-((4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, tetrasodium salt
  • Tetrasodium 7-((6-((4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)naphthalene-1,3,6-trisulphonate

Registry Numbers

CAS Registry Number

  • 85959-00-8

System Generated Number

  • 0085959008

Molecular Formulas

Molecular Formula

  • C29-H20-Cl-N7-O13-S4.4Na

Molecular Formula Fragments

  • C29-H20-Cl-N7-O13-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H20ClN7O13S4.4Na/c30-27-33-28(31-16-4-2-1-3-5-16)35-29(34-27)32-17-6-7-19-14(8-17)11-24(54(48,49)50)25(26(19)38)37-36-21-13-20-15(10-23(21)53(45,46)47)9-18(51(39,40)41)12-22(20)52(42,43)44;;;;/h1-13,38H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,31,32,33,34,35);;;;/q;4*+1/p-4/b37-36+;;;;

InChIKey

YZDPNAXQESKVNE-RTBGNPICSA-J

Smiles

c1ccc(cc1)Nc2nc(nc(n2)Cl)Nc3ccc4c(c3)cc(c(c4O)/N=N/c5cc6c(cc(cc6S(=O)(=O)[O-])S(=O)(=O)[O-])cc5S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]