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Substance Name: EINECS 289-536-6
RN: 89923-42-2
UNII: 5NR2M7B6OJ
InChIKey: PBBABYGTFMOYLX-UEVOHEPMSA-J

Molecular Formula

  • C26-H18-Cl3-N9-O12-S3.4Na

Molecular Weight

  • 938.9646
 
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Names and Synonyms

Results Name

  • EINECS 289-536-6

Name of Substance

  • Tetrasodium 2-((4-chloro-6-((3-(2-(1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl)diazen-1-yl)-4-sulfonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulfonatobenzoate

Synonyms

  • EINECS 289-536-6
  • UNII-5NR2M7B6OJ

Systematic Name

  • Tetrasodium 2-((4-chloro-6-((3-((1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonatobenzoate

Registry Numbers

CAS Registry Number

  • 89923-42-2

FDA UNII

  • 5NR2M7B6OJ

System Generated Number

  • 0089923422

Molecular Formulas

Molecular Formula

  • C26-H18-Cl3-N9-O12-S3.4Na

Molecular Formula Fragments

  • C26-H18-Cl3-N9-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H18Cl3N9O12S3.4Na/c1-10-21(22(39)38(37-10)18-8-15(28)20(9-14(18)27)53(48,49)50)36-35-17-6-11(2-5-19(17)52(45,46)47)30-25-32-24(29)33-26(34-25)31-16-4-3-12(51(42,43)44)7-13(16)23(40)41;;;;/h2-9,21H,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,30,31,32,33,34);;;;/q;4*+1/p-4/b36-35+;;;;

InChIKey

PBBABYGTFMOYLX-UEVOHEPMSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].CC1=NN(C(=O)C1N=Nc2cc(Nc3nc(Cl)nc(Nc4ccc(cc4C(=O)[O-])S(=O)(=O)[O-])n3)ccc2S(=O)(=O)[O-])c5cc(Cl)c(cc5Cl)S(=O)(=O)[O-]