Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 5-(2-(4'-(2-(6-amino-5-(2-(1H-benzotriazol-7-yl)diazenyl)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-4-methyl-, sodium salt (1:2)
RN: 85153-20-4
InChIKey: HIIFZXBQAARDAL-HBYRDVPESA-L

Molecular Formula

  • C38-H30-N10-O9-S.2Na

Molecular Weight

  • 846.746
 
* 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 285-798-0

Systematic Names

  • Benzoic acid, 5-((4'-((6-amino-5-(1H-benzotriazol-4-ylazo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-4-methyl-, disodium salt
  • Benzoic acid, 5-(2-(4'-(2-(6-amino-5-(2-(1H-benzotriazol-7-yl)diazenyl)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-4-methyl-, sodium salt (1:2)
  • Disodium 5-((4'-((6-amino-5-(1H-benzotriazol-4-ylazo)-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-4-methylsalicylate

Registry Numbers

CAS Registry Number

  • 85153-20-4

System Generated Number

  • 0085153204

Molecular Formulas

Molecular Formula

  • C38-H30-N10-O9-S.2Na

Molecular Formula Fragments

  • C38-H30-N10-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H30N10O9S.2Na/c1-18-13-30(49)23(38(51)52)16-29(18)43-40-25-11-7-19(14-31(25)56-2)20-8-12-26(32(15-20)57-3)41-46-36-33(58(53,54)55)17-22-21(37(36)50)9-10-24(39)34(22)45-42-27-5-4-6-28-35(27)47-48-44-28;;/h4-17,49-50H,39H2,1-3H3,(H,51,52)(H,44,47,48)(H,53,54,55);;/q;2*+1/p-2/b43-40+,45-42+,46-41+;;

InChIKey

HIIFZXBQAARDAL-HBYRDVPESA-L

Smiles

[Na+].[Na+].C(c1c(cc(c(c1)\N=N\c1c(cc(cc1)c1cc(c(cc1)\N=N\c1c(c2ccc(c(c2cc1S(=O)(=O)[O-])\N=N\c1cccc2c1nn[nH]2)N)O)OC)OC)C)O)(=O)[O-]