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Substance Name: Disodium (5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulphophenyl)-1H-pyrazol-4-yl)azo)-2-hydroxybenzene-1-sulphonato(4-))chromate(2-)
RN: 85896-37-3
InChIKey: KGSSKKUROREQGF-HRBIVCMLSA-K

Molecular Formula

  • C16-H9-Cl-Cr-N4-O8-S2.2Na

Molecular Weight

  • 582.8281
 
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Names and Synonyms

Synonym

  • EINECS 288-814-4

Systematic Name

  • Disodium (5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulphophenyl)-1H-pyrazol-4-yl)azo)-2-hydroxybenzene-1-sulphonato(4-))chromate(2-)

Registry Numbers

CAS Registry Number

  • 85896-37-3

System Generated Number

  • 0085896373

Molecular Formulas

Molecular Formula

  • C16-H9-Cl-Cr-N4-O8-S2.2Na

Molecular Formula Fragments

  • C16-H9-Cl-Cr-N4-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H12ClN4O8S2.Cr.2Na/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26;;;/h2-7,22H,1H3,(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b19-18+;;;

InChIKey

KGSSKKUROREQGF-HRBIVCMLSA-K

Smiles

[Na+].[Na+].CC1=NN2C(=O)C13N=Nc4cc(Cl)cc5c4O[Cr-2]3(OS(=O)(=O)c6cccc2c6)OS5(=O)=O