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Substance Name: 1,5-Naphthalenedisulfonic acid, 2,2'-((2,2'-disulfo(1,1'-biphenyl)-4,4'-diyl)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl))bis-, sodium salt (1:8)
RN: 68110-30-5
InChIKey: ZONNZHBNEGFXSA-UREGLJQUSA-F

Molecular Formula

  • C58-H38-Cl2-N14-O26-S8.8Na

Molecular Weight

  • 1850.3
 
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Names and Synonyms

Synonym

  • EINECS 268-519-7

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 2,2'-((2,2'-disulfo(1,1'-biphenyl)-4,4'-diyl)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl))bis-, sodium salt (1:8)
  • 1,5-Naphthalenedisulfonic acid, 2,2'-((2,2'-disulfo(1,1'-biphenyl)-4,4'-diyl)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo))bis-, octasodium salt
  • Octasodium 2,2'-((2,2'-disulphonato(1,1'-biphenyl)-4,4'-diyl)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3-sulphonatonaphthalene-6,2-diyl)azo))bisnaphthalene-1,5-disulphonate

Registry Numbers

CAS Registry Number

  • 68110-30-5

System Generated Number

  • 0068110305

Molecular Formulas

Molecular Formula

  • C58-H38-Cl2-N14-O26-S8.8Na

Molecular Formula Fragments

  • C58-H38-Cl2-N14-O26-S8
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C58H38Cl2N14O26S8.8Na/c59-53-65-55(61-27-7-11-31-25(19-27)21-45(105(89,90)91)47(49(31)75)73-71-39-17-15-35-37(51(39)107(95,96)97)3-1-5-41(35)101(77,78)79)69-57(67-53)63-29-9-13-33(43(23-29)103(83,84)85)34-14-10-30(24-44(34)104(86,87)88)64-58-68-54(60)66-56(70-58)62-28-8-12-32-26(20-28)22-46(106(92,93)94)48(50(32)76)74-72-40-18-16-36-38(52(40)108(98,99)100)4-2-6-42(36)102(80,81)82;;;;;;;;/h1-24,75-76H,(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H2,61,63,65,67,69)(H2,62,64,66,68,70);;;;;;;;/q;8*+1/p-8/b73-71+,74-72+;;;;;;;;

InChIKey

ZONNZHBNEGFXSA-UREGLJQUSA-F

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].c1(c(cc(cc1)Nc1nc(nc(n1)Cl)Nc1cc2cc(c(c(c2cc1)O)\N=N\c1c(c2cccc(c2cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])c1c(cc(cc1)Nc1nc(nc(n1)Cl)Nc1cc2cc(c(c(c2cc1)O)\N=N\c1c(c2cccc(c2cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]