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Substance Name: Reactive Yellow 13
RN: 12769-09-4
InChIKey: JVWFJQBGRJXMOM-ZRUFZDNISA-K

Note

  • Ligand for affinity chromatography of alkaline phosphatase.

Molecular Formula

  • C19-H17-Cl-N4-O12-S3.3Na

Molecular Weight

  • 690.957
 
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Names and Synonyms

Name of Substance

  • Reactive Yellow 13

Synonym

  • EINECS 235-808-4

Systematic Names

  • Benzoic acid, 2-chloro-5-((4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)azo)-4-sulfo-, trisodium salt
  • Trisodium 2-chloro-5-((4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)-1H-pyrazol-4-yl)azo)-4-sulphonatobenzoate

Registry Numbers

CAS Registry Number

  • 12769-09-4

System Generated Number

  • 0012769094

Molecular Formulas

Molecular Formula

  • C19-H17-Cl-N4-O12-S3.3Na

Molecular Formula Fragments

  • C19-H17-Cl-N4-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H17ClN4O12S3.3Na/c1-10-17(22-21-15-8-13(19(26)27)14(20)9-16(15)38(30,31)32)18(25)24(23-10)11-2-4-12(5-3-11)37(28,29)7-6-36-39(33,34)35;;;/h2-5,8-9,17H,6-7H2,1H3,(H,26,27)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3/b22-21+;;;

InChIKey

JVWFJQBGRJXMOM-ZRUFZDNISA-K

Smiles

[Na+].[Na+].[Na+].C(c1c(cc(c(c1)\N=N\[C@@H]1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-])C)S(=O)(=O)[O-])Cl)(=O)[O-]