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Substance Name: Reactive Yellow 14
RN: 18976-74-4
InChIKey: MDNHFVJYEPHAAQ-VPMNAVQSSA-L

Classification Code

  • Tumor Data

Molecular Formulas

  • C20-H19-Cl-N4-O11-S3.2Na
  • C20-H21-Cl-N4-O11-S3.2Na

Molecular Weight

  • 669.018
 
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Names and Synonyms

Results Name

  • Reactive Yellow 14

Synonyms

  • C.I. Reactive Yellow 14
  • EINECS 242-710-5
  • Procion Yellow MX 4R
  • Remazol Yellow G

Systematic Names

  • Benzenesulfonic acid, p-((4-(5-((2-hydroxyethyl)sulfonyl)-2-methoxyphenyl)azo)-5-hydroxy-3-methylpyrazol-1-yl)-3-chloro-5-methyl-, hydrogen sulfate (ester), disodium salt
  • Disodium 5-chloro-6-(4,5-dihydro-4-((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonate

Registry Numbers

CAS Registry Number

  • 18976-74-4

Other Registry Numbers

  • 12637-12-6
  • 12769-10-7
  • 63077-01-0

System Generated Number

  • 0018976744

Molecular Formulas

Molecular Formulas

  • C20-H19-Cl-N4-O11-S3.2Na
  • C20-H21-Cl-N4-O11-S3.2Na

Molecular Formula Fragments

  • C20-H19-Cl-N4-O11-S3
  • C20-H21-Cl-N4-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H21ClN4O11S3.2Na/c1-11-8-14(38(29,30)31)9-15(21)19(11)25-20(26)18(12(2)24-25)23-22-16-10-13(4-5-17(16)35-3)37(27,28)7-6-36-39(32,33)34;;/h4-5,8-10,18H,6-7H2,1-3H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b23-22+;;

InChIKey

MDNHFVJYEPHAAQ-VPMNAVQSSA-L

Smiles

N1(C([C@@H](\N=N\c2cc(S(CCOS(=O)(=O)[O-])(=O)=O)ccc2OC)C(=N1)C)=O)c1c(cc(S([O-])(=O)=O)cc1C)Cl.[Na+].[Na+]