Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:4)
RN: 20182-56-3
InChIKey: KBBXVSKGGMXRTL-MBCFVHIPSA-J

Classification Code

  • Skin / Eye Irritant

Molecular Formulas

  • C36-H32-N12-O14-S4.4Na
  • C36-H36-N12-O14-S4.4Na

Molecular Weight

  • 1076.94
 
* 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

  • 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-(2-hydroxyethyl)amino-6-(p-sulfoanilino)-s-triazin-2-yl)amino)-, tetrasodium salt
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:4)
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxyethyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, tetrasodium salt

Registry Numbers

CAS Registry Number

  • 20182-56-3

System Generated Number

  • 0020182563

Molecular Formulas

Molecular Formulas

  • C36-H32-N12-O14-S4.4Na
  • C36-H36-N12-O14-S4.4Na

Molecular Formula Fragments

  • C36-H32-N12-O14-S4
  • C36-H36-N12-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H36N12O14S4.4Na/c49-17-15-37-31-43-33(39-23-7-11-27(12-8-23)63(51,52)53)47-35(45-31)41-25-5-3-21(29(19-25)65(57,58)59)1-2-22-4-6-26(20-30(22)66(60,61)62)42-36-46-32(38-16-18-50)44-34(48-36)40-24-9-13-28(14-10-24)64(54,55)56;;;;/h1-14,19-20,49-50H,15-18H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;;;/q;4*+1/p-4/b2-1+;;;;

InChIKey

KBBXVSKGGMXRTL-MBCFVHIPSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].C(=C\c1c(cc(cc1)Nc1nc(nc(n1)NCCO)Nc1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])\c1c(cc(cc1)Nc1nc(nc(n1)NCCO)Nc1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]