Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Trihydrogen bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxybenzene-1-sulphonato(3-))chromate(3-), compound with N,N'-bis-o-tolylguanidine (1:3)
RN: 85099-44-1
InChIKey: KXKIMJYYKYVBGC-DYFMGLLQSA-M

Molecular Formula

  • C32-H22-Cr-N8-O10-S2.3C15-H17-N3.3H

Molecular Weight

  • 1515.6844
 
* 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 285-499-5

Systematic Name

  • Trihydrogen bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxybenzene-1-sulphonato(3-))chromate(3-), compound with N,N'-bis-o-tolylguanidine (1:3)

Registry Numbers

CAS Registry Number

  • 85099-44-1

System Generated Number

  • 0085099441

Molecular Formulas

Molecular Formula

  • C32-H22-Cr-N8-O10-S2.3C15-H17-N3.3H

Molecular Formula Fragments

  • C15-H17-N3
  • C32-H22-Cr-N8-O10-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C16H13N4O5S.3C15H17N3.Cr/c2*1-10-15(16(22)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(26(23,24)25)7-8-14(13)21;3*1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2;/h2*2-9,21H,1H3,(H,23,24,25);3*3-10H,1-2H3,(H3,16,17,18);/q;;;;;+1/p-1/b2*18-17+;;;;

InChIKey

KXKIMJYYKYVBGC-DYFMGLLQSA-M

Smiles

CC1=NN(C(=O)C12N=Nc3cc4ccc3O[Cr-3]256(Oc7ccc(cc7N=NC58C(=NN(C8=O)c9ccccc9)C)S(=O)(=O)O6)OS4(=O)=O)c%10ccccc%10.Cc%11ccccc%11NC(=N)Nc%12ccccc%12C.Cc%13ccccc%13NC(=N)Nc%14ccccc%14C.Cc%15ccccc%15NC(=N)Nc%16ccccc%16C