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Substance Name: Disodium 4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzenesulphonate
RN: 84100-05-0
InChIKey: BMTKLUKLKZQLSB-YOYNBWDYSA-L

Molecular Formula

  • C19-H16-Cl-N9-O7-S2.2Na

Molecular Weight

  • 625.9406
 
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Names and Synonyms

Synonym

  • EINECS 282-086-1

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 84100-05-0

System Generated Number

  • 0084100050

Molecular Formulas

Molecular Formula

  • C19-H16-Cl-N9-O7-S2.2Na

Molecular Formula Fragments

  • C19-H16-Cl-N9-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H16ClN9O7S2.2Na/c1-9-15(16(30)29(28-9)11-3-5-12(6-4-11)37(31,32)33)27-26-13-8-10(2-7-14(13)38(34,35)36)22-19-24-17(20)23-18(21)25-19;;/h2-8,15H,1H3,(H,31,32,33)(H,34,35,36)(H3,21,22,23,24,25);;/q;2*+1/p-2/b27-26+;;

InChIKey

BMTKLUKLKZQLSB-YOYNBWDYSA-L

Smiles

CC1=NN(C(=O)C1/N=N/c2cc(ccc2S(=O)(=O)[O-])Nc3nc(nc(n3)Cl)N)c4ccc(cc4)S(=O)(=O)[O-].[Na+].[Na+]