Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,5-Naphthalenedisulfonic acid, 3,3'-((4-methyl-1,2-phenylene)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-(acetylamino)-5-methoxy-4,1-phenylene)-2,1-diazenediyl))bis-, sodium salt (1:4)
RN: 72906-25-3
InChIKey: JKXPVKKQHQTRBS-YYIWZXIKSA-J

Molecular Formula

  • C51-H42-Cl2-N16-O16-S4.4Na

Molecular Weight

  • 1422.09
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 276-993-1

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 3,3'-((4-methyl-1,2-phenylene)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-(acetylamino)-5-methoxy-4,1-phenylene)-2,1-diazenediyl))bis-, sodium salt (1:4)
  • 1,5-Naphthalenedisulfonic acid, 3,3'-((4-methyl-1,2-phenylene)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-(acetylamino)-5-methoxy-4,1-phenylene)azo))bis-, tetrasodium salt
  • Tetrasodium 3,3'-((4-methyl-1,2-phenylene)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-(acetylamino)-5-methoxy-4,1-phenylene)azo))bisnaphthalene-1,5-disulphonate

Registry Numbers

CAS Registry Number

  • 72906-25-3

System Generated Number

  • 0072906253

Molecular Formulas

Molecular Formula

  • C51-H42-Cl2-N16-O16-S4.4Na

Molecular Formula Fragments

  • C51-H42-Cl2-N16-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C51H42Cl2N16O16S4.4Na/c1-23-12-13-32(56-48-60-46(52)62-50(64-48)58-38-19-34(54-24(2)70)36(21-40(38)84-4)68-66-26-15-30-28(44(17-26)88(78,79)80)8-6-10-42(30)86(72,73)74)33(14-23)57-49-61-47(53)63-51(65-49)59-39-20-35(55-25(3)71)37(22-41(39)85-5)69-67-27-16-31-29(45(18-27)89(81,82)83)9-7-11-43(31)87(75,76)77;;;;/h6-22H,1-5H3,(H,54,70)(H,55,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H2,56,58,60,62,64)(H2,57,59,61,63,65);;;;/q;4*+1/p-4/b68-66+,69-67+;;;;

InChIKey

JKXPVKKQHQTRBS-YYIWZXIKSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].c1(c(cc(cc1)C)Nc1nc(nc(n1)Cl)Nc1cc(c(cc1OC)\N=N\c1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C)Nc1nc(nc(n1)Cl)Nc1cc(c(cc1OC)\N=N\c1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C