Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 5-(2-(4-(2-(8-(((3-carboxy-4-hydroxyphenyl)sulfonyl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-3-ethoxy-7-sulfo-1-naphthalenyl)diazenyl)-2-hydroxy-3-sulfo-, sodium salt (1:6)
RN: 72379-56-7
InChIKey: RPXZKWJWGCYNPA-WEALUKGNSA-H

Molecular Formula

  • C36-H27-N5-O22-S5.6Na

Molecular Weight

  • 1173.8449
 
* 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

  • Benzoic acid, 5-((4-((8-(((3-carboxy-4-hydroxyphenyl)sulfonyl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-3-ethoxy-7-sulfo-1-naphthalenyl)azo)-2-hydroxy-3-sulfo-, hexasodium salt
  • Benzoic acid, 5-(2-(4-(2-(8-(((3-carboxy-4-hydroxyphenyl)sulfonyl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-3-ethoxy-7-sulfo-1-naphthalenyl)diazenyl)-2-hydroxy-3-sulfo-, sodium salt (1:6)

Registry Numbers

CAS Registry Number

  • 72379-56-7

System Generated Number

  • 0072379567

Molecular Formulas

Molecular Formula

  • C36-H27-N5-O22-S5.6Na

Molecular Formula Fragments

  • C36-H27-N5-O22-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H27N5O22S5.6Na/c1-2-63-27-14-24(38-37-16-9-23(36(47)48)33(43)29(10-16)68(60,61)62)21-12-18(65(51,52)53)3-5-20(21)31(27)39-40-32-28(67(57,58)59)8-15-7-19(66(54,55)56)13-25(30(15)34(32)44)41-64(49,50)17-4-6-26(42)22(11-17)35(45)46;;;;;;/h3-14,41-44H,2H2,1H3,(H,45,46)(H,47,48)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6/b38-37+,40-39+;;;;;;

InChIKey

RPXZKWJWGCYNPA-WEALUKGNSA-H

Smiles

CCOc1cc(c2cc(ccc2c1/N=N/c3c(cc4cc(cc(c4c3O)NS(=O)(=O)c5ccc(c(c5)C(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c6cc(c(c(c6)S(=O)(=O)[O-])O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]