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Substance Name: Hydrogen (5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulphophenyl)-1H-pyrazol-4-yl)azo)-2-hydroxybenzene-1-sulphonato(4-))chromate(1-)
RN: 94276-67-2
InChIKey: KNZLVHIYHRUMBL-LTRPLHCISA-L

Molecular Formula

  • C16-H9-Cl-Cr-N4-O8-S2.H

Molecular Weight

  • 537.856
 
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Names and Synonyms

Synonym

  • EINECS 304-552-6

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94276-67-2

System Generated Number

  • 0094276672

Molecular Formulas

Molecular Formula

  • C16-H9-Cl-Cr-N4-O8-S2.H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C16H12ClN4O8S2.Cr/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;+2/p-2/b19-18+;

InChIKey

KNZLVHIYHRUMBL-LTRPLHCISA-L

Smiles

[H+].CC1=NN2c3cccc(c3)S(=O)(=O)O[Cr-]45C1(C2=O)N=Nc6cc(cc(c6O4)S(=O)(=O)O5)Cl