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Substance Name: Benzoic acid, 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl(2-amino-5-hydroxy-7-sulfo-6,1-naphthalenediyl)-2,1-diazenediyl))bis(5-nitro-, sodium salt (1:4)
RN: 70210-33-2
InChIKey: LLCPFLSMAUDRIY-DJAGXRLQSA-J

Molecular Formula

  • C48-H34-N12-O18-S2.4Na

Molecular Weight

  • 1218.92
 
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Names and Synonyms

Synonym

  • EINECS 274-429-9

Systematic Names

  • Benzoic acid, 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl(2-amino-5-hydroxy-7-sulfo-6,1-naphthalenediyl)-2,1-diazenediyl))bis(5-nitro-, sodium salt (1:4)
  • Benzoic acid, 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo(2-amino-5-hydroxy-7-sulfo-6,1-naphthalenediyl)azo))bis(5-nitro-, tetrasodium salt
  • Tetrasodium 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo(2-amino-5-hydroxy-7-sulphonato-6,1-naphthylene)azo))bis(5-nitrobenzoate)

Registry Numbers

CAS Registry Number

  • 70210-33-2

System Generated Number

  • 0070210332

Molecular Formulas

Molecular Formula

  • C48-H34-N12-O18-S2.4Na

Molecular Formula Fragments

  • C48-H34-N12-O18-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C48H34N12O18S2.4Na/c1-77-37-15-21(3-11-35(37)53-57-43-39(79(71,72)73)19-27-25(45(43)61)7-9-31(49)41(27)55-51-33-13-5-23(59(67)68)17-29(33)47(63)64)22-4-12-36(38(16-22)78-2)54-58-44-40(80(74,75)76)20-28-26(46(44)62)8-10-32(50)42(28)56-52-34-14-6-24(60(69)70)18-30(34)48(65)66;;;;/h3-20,61-62H,49-50H2,1-2H3,(H,63,64)(H,65,66)(H,71,72,73)(H,74,75,76);;;;/q;4*+1/p-4/b55-51+,56-52+,57-53+,58-54+;;;;

InChIKey

LLCPFLSMAUDRIY-DJAGXRLQSA-J

Smiles

[O-]S(=O)(=O)c1cc2c(c(c1\N=N\c1c(cc(cc1)c1cc(c(cc1)\N=N\c1c(c3c(cc1S(=O)(=O)[O-])c(c(cc3)N)\N=N\c1ccc(cc1C(=O)[O-])[N+]([O-])=O)O)OC)OC)O)ccc(c2\N=N\c1ccc(cc1C(=O)[O-])[N+]([O-])=O)N.[Na+].[Na+].[Na+].[Na+]