Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2,7-Naphthalenedisulfonic acid, 4-((4'-((2,4-diamino-5-sulfophenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-3-hydroxy-, sodium salt, compd. with 2,2',2''-(nitrilotris(2,1-ethanediyloxy))tris(ethanol)
RN: 85283-97-2
InChIKey: YIGASRMLRPKPTD-UUIOKUIJSA-N

Molecular Formula

  • C30-H26-N6-O12-S3.x-C12-H27-N-O6.x-Na

Molecular Weight

  • 1063.0997
 
* 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 286-625-1

Systematic Name

  • 2,7-Naphthalenedisulfonic acid, 4-((4'-((2,4-diamino-5-sulfophenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-3-hydroxy-, sodium salt, compd. with 2,2',2''-(nitrilotris(2,1-ethanediyloxy))tris(ethanol)

Registry Numbers

CAS Registry Number

  • 85283-97-2

System Generated Number

  • 0085283972

Molecular Formulas

Molecular Formula

  • C30-H26-N6-O12-S3.x-C12-H27-N-O6.x-Na

Molecular Formula Fragments

  • C12-H27-N-O6
  • C30-H26-N6-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H26N6O12S3.C12H27NO6.Na/c1-47-25-10-15(3-7-22(25)33-35-24-14-27(50(41,42)43)21(32)13-20(24)31)16-4-8-23(26(11-16)48-2)34-36-29-19-6-5-18(49(38,39)40)9-17(19)12-28(30(29)37)51(44,45)46;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h3-14,37H,31-32H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46);14-16H,1-12H2;/q;;+1/b35-33+,36-34+;;

InChIKey

YIGASRMLRPKPTD-UUIOKUIJSA-N

Smiles

[Na+].COc1cc(ccc1N=Nc2cc(c(N)cc2N)S(=O)(=O)O)c3ccc(N=Nc4c(O)c(cc5cc(ccc45)S(=O)(=O)O)S(=O)(=O)O)c(OC)c3.OCCOCCN(CCOCCO)CCOCCO