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Substance Name: 6-((2,4-Diamino-5-sulphophenyl)azo)-3-((4-((4-((7-((2,4-diamino-5-sulphophenyl)azo)-1-hydroxy-3-sulpho-2-naphthyl)azo)phenyl)amino)-3-sulphophenyl)azo)-4-hydroxynaphthalene-2-sulphonic acid, sodium salt
RN: 85188-19-8
InChIKey: KXBMOEKPLVBNGA-BPFNECORSA-I

Molecular Formula

  • C44-H35-N13-O17-S5.x-Na

Molecular Weight

  • 1288.075
 
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Names and Synonyms

Synonym

  • EINECS 286-210-5

Systematic Name

  • 6-((2,4-Diamino-5-sulphophenyl)azo)-3-((4-((4-((7-((2,4-diamino-5-sulphophenyl)azo)-1-hydroxy-3-sulpho-2-naphthyl)azo)phenyl)amino)-3-sulphophenyl)azo)-4-hydroxynaphthalene-2-sulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 85188-19-8

System Generated Number

  • 0085188198

Molecular Formulas

Molecular Formula

  • C44-H35-N13-O17-S5.x-Na

Molecular Formula Fragments

  • C44-H35-N13-O17-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H35N13O17S5.5Na/c45-29-16-31(47)36(75(60,61)62)18-34(29)54-51-24-3-1-20-11-39(78(69,70)71)41(43(58)27(20)13-24)56-50-23-7-5-22(6-8-23)49-33-10-9-26(15-38(33)77(66,67)68)53-57-42-40(79(72,73)74)12-21-2-4-25(14-28(21)44(42)59)52-55-35-19-37(76(63,64)65)32(48)17-30(35)46;;;;;/h1-19,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74);;;;;/q;5*+1/p-5/b54-51+,55-52+,56-50+,57-53+;;;;;

InChIKey

KXBMOEKPLVBNGA-BPFNECORSA-I

Smiles

c1cc(ccc1Nc2ccc(cc2S(=O)(=O)[O-])/N=N/c3c(cc4ccc(cc4c3O)/N=N/c5cc(c(cc5N)N)S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c6c(cc7ccc(cc7c6O)/N=N/c8cc(c(cc8N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]