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Substance Name: 6-((2,4-Diaminophenyl)azo)-3-((4-((4-((7-((2,4-diamino-5-sulphophenyl)azo)-1-hydroxy-3-sulpho-2-naphthyl)azo)-2-sulphophenyl)amino)phenyl)azo)-4-hydroxynaphthalene-2-sulphonic acid, sodium salt
RN: 85188-18-7
InChIKey: IVVXMJJFKBRGOW-GVYHYFRDSA-J

Molecular Formula

  • C44-H35-N13-O14-S4.x-Na

Molecular Weight

  • 1186.0299
 
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Names and Synonyms

Synonym

  • EINECS 286-208-4

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85188-18-7

System Generated Number

  • 0085188187

Molecular Formulas

Molecular Formula

  • C44-H35-N13-O14-S4.x-Na

Molecular Formula Fragments

  • C44-H35-N13-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H35N13O14S4.4Na/c45-23-3-11-34(31(46)15-23)54-51-26-4-1-21-13-39(74(66,67)68)41(43(58)29(21)16-26)56-50-25-8-6-24(7-9-25)49-35-12-10-28(18-38(35)73(63,64)65)53-57-42-40(75(69,70)71)14-22-2-5-27(17-30(22)44(42)59)52-55-36-20-37(72(60,61)62)33(48)19-32(36)47;;;;/h1-20,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71);;;;/q;4*+1/p-4/b54-51+,55-52+,56-50+,57-53+;;;;

InChIKey

IVVXMJJFKBRGOW-GVYHYFRDSA-J

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/c8ccc(cc8N)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]