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Substance Name: Trilithium 2-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-5-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzene-1,4-disulphonate
RN: 84051-91-2
InChIKey: GHAVRZBRBRRZFK-DTBIJOOYSA-K

Molecular Formula

  • C20-H17-Cl-N8-O11-S3.3Li

Molecular Weight

  • 694.8496
 
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Names and Synonyms

Synonym

  • EINECS 281-881-0

Systematic Name

  • Trilithium 2-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-5-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzene-1,4-disulphonate

Registry Numbers

CAS Registry Number

  • 84051-91-2

System Generated Number

  • 0084051912

Molecular Formulas

Molecular Formula

  • C20-H17-Cl-N8-O11-S3.3Li

Molecular Formula Fragments

  • C20-H17-Cl-N8-O11-S3
  • COMPONENT
  • Li

Structure Descriptors

InChI

1S/C20H17ClN8O11S3.3Li/c1-9-16(17(30)29(28-9)10-3-5-11(6-4-10)41(31,32)33)27-26-13-8-14(42(34,35)36)12(7-15(13)43(37,38)39)22-19-23-18(21)24-20(25-19)40-2;;;/h3-8,16H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,22,23,24,25);;;/q;3*+1/p-3/b27-26+;;;

InChIKey

GHAVRZBRBRRZFK-DTBIJOOYSA-K

Smiles

[Li+].[Li+].[Li+].CC1=NN(C(=O)C1/N=N/c2cc(c(cc2S(=O)(=O)[O-])Nc3nc(nc(n3)Cl)OC)S(=O)(=O)[O-])c4ccc(cc4)S(=O)(=O)[O-]