Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 5-(2-(4-(2-(6-((2-(2-(2-carboxyphenyl)diazenyl)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl)-3-methoxy-7-sulfo-1-naphthalenyl)diazenyl)-2-hydroxy-, sodium salt (1:4)
RN: 70209-88-0
InChIKey: UAUWAILLMHXISG-WWIBYOFGSA-J

Molecular Formula

  • C39-H29-N7-O15-S2.4Na

Molecular Weight

  • 987.753
 
* 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

Synonyms

  • 5-((4-((6-((2-((2-Carboxyphenyl)azo)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)azo)-3-methoxy-7-sulfo-1-naphthalenyl)azo)-2-hydroxybenzoic acid, tetrasodium salt
  • EINECS 274-387-1

Systematic Names

  • Benzoic acid, 5-((4-((6-((2-((2-carboxyphenyl)azo)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)azo)-3-methoxy-7-sulfo-1-naphthalenyl)azo)-2-hydroxy-, tetrasodium salt
  • Benzoic acid, 5-(2-(4-(2-(6-((2-(2-(2-carboxyphenyl)diazenyl)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl)-3-methoxy-7-sulfo-1-naphthalenyl)diazenyl)-2-hydroxy-, sodium salt (1:4)
  • Tetrasodium 5-((4-((6-((2-((2-carboxylatophenyl)azo)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulphonato-1-naphthyl)azo)-3-methoxy-7-sulphonato-1-naphthyl)azo)salicylate

Registry Numbers

CAS Registry Number

  • 70209-88-0

System Generated Number

  • 0070209880

Molecular Formulas

Molecular Formula

  • C39-H29-N7-O15-S2.4Na

Molecular Formula Fragments

  • C39-H29-N7-O15-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H29N7O15S2.4Na/c1-18(47)34(44-42-28-6-4-3-5-24(28)38(51)52)37(50)40-19-7-10-23-26(13-19)33(63(58,59)60)17-31(49)35(23)45-46-36-22-11-9-21(62(55,56)57)15-25(22)29(16-32(36)61-2)43-41-20-8-12-30(48)27(14-20)39(53)54;;;;/h3-17,34,48-49H,1-2H3,(H,40,50)(H,51,52)(H,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4/b43-41+,44-42+,46-45+;;;;

InChIKey

UAUWAILLMHXISG-WWIBYOFGSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].C(c1c(ccc(c1)\N=N\c1cc(c(c2ccc(cc12)S(=O)(=O)[O-])\N=N\c1c(cc(c2cc(ccc12)NC([C@@H](C(C)=O)\N=N\c1c(cccc1)C(=O)[O-])=O)S(=O)(=O)[O-])O)OC)O)(=O)[O-]