Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Sodium 2-((2-amino-6-((4'-((3-carboxy-4-hydroxyphenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-7-sulpho-1-naphthyl)azo)-5-nitrobenzoate
RN: 93964-42-2
InChIKey: QVYIFFPJPCUTHF-DTPVEEBPSA-K

Molecular Formula

  • C38-H28-N8-O13-S.x-Na

Molecular Weight

  • 902.6945
 
* 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 300-889-8

Systematic Name

  • Sodium 2-((2-amino-6-((4'-((3-carboxy-4-hydroxyphenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-7-sulpho-1-naphthyl)azo)-5-nitrobenzoate

Registry Numbers

CAS Registry Number

  • 93964-42-2

System Generated Number

  • 0093964422

Molecular Formulas

Molecular Formula

  • C38-H28-N8-O13-S.x-Na

Molecular Formula Fragments

  • C38-H28-N8-O13-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H28N8O13S.3Na/c1-58-31-13-18(3-9-28(31)42-40-20-5-12-30(47)25(15-20)38(51)52)19-4-10-29(32(14-19)59-2)43-45-35-33(60(55,56)57)17-23-22(36(35)48)7-8-26(39)34(23)44-41-27-11-6-21(46(53)54)16-24(27)37(49)50;;;/h3-17,47-48H,39H2,1-2H3,(H,49,50)(H,51,52)(H,55,56,57);;;/q;3*+1/p-3/b42-40+,44-41+,45-43+;;;

InChIKey

QVYIFFPJPCUTHF-DTPVEEBPSA-K

Smiles

c1(S(=O)(=O)[O-])c(/N=N/c2c(cc(c3cc(c(/N=N/c4cc(C(=O)[O-])c(cc4)O)cc3)OC)cc2)OC)c(c2c(c(/N=N/c3c(cc([N+](=O)[O-])cc3)C(=O)[O-])c(cc2)N)c1)O.[Na+].[Na+].[Na+]