Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-(4-((1-(((2-Methoxy-5-sulphophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonic acid, sodium salt, compound with 2,2',2''-(nitrilotris(ethyleneoxy))tris(ethanol)
RN: 85284-00-0
InChIKey: YWGGXBRQGIEPTP-NTDCDQSISA-N

Molecular Formula

  • C25-H22-N4-O9-S3.x-C12-H27-N-O6.x-Na

Molecular Weight

  • 923.0021
 
* 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 286-628-8

Systematic Names

  • 2-(4-((1-(((2-Methoxy-5-sulphophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonic acid, sodium salt, compound with 2,2',2''-(nitrilotris(ethyleneoxy))tris(ethanol)
  • 7-Benzothiazolesulfonic acid, 2-(4-((1-(((2-methoxy-5-sulfophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)-6-methyl-, sodium salt, compd. with 2,2',2''-(nitrilotris(2,1-ethanediyloxy))tris(ethanol)

Registry Numbers

CAS Registry Number

  • 85284-00-0

System Generated Number

  • 0085284000

Molecular Formulas

Molecular Formula

  • C25-H22-N4-O9-S3.x-C12-H27-N-O6.x-Na

Molecular Formula Fragments

  • C12-H27-N-O6
  • C25-H22-N4-O9-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H22N4O9S3.C12H27NO6.Na/c1-13-4-10-18-22(23(13)41(35,36)37)39-25(27-18)15-5-7-16(8-6-15)28-29-21(14(2)30)24(31)26-19-12-17(40(32,33)34)9-11-20(19)38-3;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h4-12,21H,1-3H3,(H,26,31)(H,32,33,34)(H,35,36,37);14-16H,1-12H2;/q;;+1/b29-28+;;

InChIKey

YWGGXBRQGIEPTP-NTDCDQSISA-N

Smiles

[Na+].COc1ccc(cc1\N=C(/O)\C(N=Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S(=O)(=O)O)C(=O)C)S(=O)(=O)O.OCCOCCN(CCOCCO)CCOCCO