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Substance Name: 1,3,6-Naphthalenetrisulfonic acid, 7,7'-((2,2'-disulfo(1,1'-biphenyl)-4,4'-diyl)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-((aminocarbonyl)amino)-4,1-phenylene)-2,1-diazenediyl))bis-, sodium salt (1:8)
RN: 68133-40-4
InChIKey: WAPHSRMHUOCGQE-PCGBPWRFSA-F

Molecular Formula

  • C52-H38-Cl2-N18-O26-S8.8Na

Molecular Weight

  • 1834.26
 
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Names and Synonyms

Synonyms

  • 7,7'-(2,2'-Disulfo-(1,1'-biphenyl)-4,4'-diyl)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-(aminocarbonylamino)-4,1-phenylene)azo)bis(1,3,6-naphthalenetrisulfonic acid), octasodium salt
  • EINECS 268-684-5

Systematic Names

  • 1,3,6-Naphthalenetrisulfonic acid, 7,7'-((2,2'-disulfo(1,1'-biphenyl)-4,4'-diyl)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-((aminocarbonyl)amino)-4,1-phenylene)-2,1-diazenediyl))bis-, sodium salt (1:8)
  • 1,3,6-Naphthalenetrisulfonic acid, 7,7'-((2,2'-disulfo(1,1'-biphenyl)-4,4'-diyl)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-((aminocarbonyl)amino)-4,1-phenylene)azo))bis-, octasodium salt
  • Octasodium 7,7'-((2,2'-disulphonato(1,1'-biphenyl)-4,4'-diyl)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-(carbamoylamino))-4,1-phenylene)azo))bis(naphthalene-1,3,6-trisulphonate)

Registry Numbers

CAS Registry Number

  • 68133-40-4

System Generated Number

  • 0068133404

Molecular Formulas

Molecular Formula

  • C52-H38-Cl2-N18-O26-S8.8Na

Molecular Formula Fragments

  • C52-H38-Cl2-N18-O26-S8
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C52H38Cl2N18O26S8.8Na/c53-45-63-49(57-23-3-7-33(35(13-23)61-47(55)73)69-71-37-19-31-21(11-43(37)105(93,94)95)9-27(99(75,76)77)17-41(31)103(87,88)89)67-51(65-45)59-25-1-5-29(39(15-25)101(81,82)83)30-6-2-26(16-40(30)102(84,85)86)60-52-66-46(54)64-50(68-52)58-24-4-8-34(36(14-24)62-48(56)74)70-72-38-20-32-22(12-44(38)106(96,97)98)10-28(100(78,79)80)18-42(32)104(90,91)92;;;;;;;;/h1-20H,(H3,55,61,73)(H3,56,62,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,57,59,63,65,67)(H2,58,60,64,66,68);;;;;;;;/q;8*+1/p-8/b71-69+,72-70+;;;;;;;;

InChIKey

WAPHSRMHUOCGQE-PCGBPWRFSA-F

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].c1(c(cc(cc1)Nc1nc(nc(n1)Cl)Nc1cc(c(cc1)\N=N\c1c(cc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)S(=O)(=O)[O-])c1c(cc(cc1)Nc1nc(nc(n1)Cl)Nc1cc(c(cc1)\N=N\c1c(cc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)S(=O)(=O)[O-]