Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 2-(2-(2-amino-5-hydroxy-6-(2-(4'-(2-(2-hydroxy-6-sulfo-1-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-7-sulfo-1-naphthalenyl)diazenyl)-5-nitro-, sodium salt (1:2)
RN: 101200-51-5
InChIKey: TWGZCCLDFUJRDC-MFGNXILVSA-L

Molecular Formula

  • C41-H30-N8-O14-S2.2Na

Molecular Weight

  • 966.826
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • Benzoic acid, 2-((2-amino-5-hydroxy-6-((4'-((2-hydroxy-6-sulfo-1-naphthalenyl)azo)-3,3'-dimethoxy-(1,1'-biphenyl)-4-yl)azo)-7-sulfo-1-naphthalenyl)azo)-5-nitro-, disodium salt

Systematic Names

  • Benzoic acid, 2-((2-amino-5-hydroxy-6-((4'-((2-hydroxy-6-sulfo-1-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-7-sulfo-1-naphthalenyl)azo)-5-nitro-, disodium salt
  • Benzoic acid, 2-(2-(2-amino-5-hydroxy-6-(2-(4'-(2-(2-hydroxy-6-sulfo-1-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-7-sulfo-1-naphthalenyl)diazenyl)-5-nitro-, sodium salt (1:2)

Registry Numbers

CAS Registry Number

  • 101200-51-5

System Generated Number

  • 0101200515

Molecular Formulas

Molecular Formula

  • C41-H30-N8-O14-S2.2Na

Molecular Formula Fragments

  • C41-H30-N8-O14-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H30N8O14S2.2Na/c1-62-34-16-20(3-11-31(34)44-47-38-25-8-7-24(64(56,57)58)15-22(25)5-14-33(38)50)21-4-12-32(35(17-21)63-2)45-48-39-36(65(59,60)61)19-27-26(40(39)51)9-10-29(42)37(27)46-43-30-13-6-23(49(54)55)18-28(30)41(52)53;;/h3-19,50-51H,42H2,1-2H3,(H,52,53)(H,56,57,58)(H,59,60,61);;/q;2*+1/p-2/b46-43+,47-44+,48-45+;;

InChIKey

TWGZCCLDFUJRDC-MFGNXILVSA-L

Smiles

c1(S(=O)(=O)[O-])c(\N=N\c2c(cc(cc2)c2cc(OC)c(\N=N\c3c4c(cc(S(=O)(=O)[O-])cc4)ccc3O)cc2)OC)c(O)c2c(c1)c(\N=N\c1c(cc([N+]([O-])=O)cc1)C(=O)O)c(N)cc2.[Na+].[Na+]