Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-((5-((4-(4-Butylphenoxy)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
RN: 97417-01-1
InChIKey: WKJKXNDKRUONHJ-ULDVOPSXSA-N

Molecular Formula

  • C29-H25-Cl-N8-O10-S2

Molecular Weight

  • 745.1475
 
* 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 306-850-1

Systematic Name

  • 4-((5-((4-(4-Butylphenoxy)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

Registry Numbers

CAS Registry Number

  • 97417-01-1

System Generated Number

  • 0097417011

Structure Descriptors

InChI

1S/C29H25ClN8O10S2/c1-2-3-4-16-5-10-19(11-6-16)48-29-33-27(30)32-28(34-29)31-17-7-14-22(50(45,46)47)21(15-17)35-36-23-24(26(40)41)37-38(25(23)39)18-8-12-20(13-9-18)49(42,43)44/h5-15,23H,2-4H2,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,31,32,33,34)/b36-35+

InChIKey

WKJKXNDKRUONHJ-ULDVOPSXSA-N

Smiles

CCCCc1ccc(cc1)Oc2nc(nc(n2)Cl)Nc3ccc(c(c3)/N=N/C4C(=NN(C4=O)c5ccc(cc5)S(=O)(=O)O)C(=O)O)S(=O)(=O)O