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Substance Name: Benzenesulfonic acid, 4-(2-(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl)-2,5-dichloro-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
RN: 62106-21-2
InChIKey: JXWGOVHOROKRSH-CFRCJOIHSA-N

Molecular Formula

  • C16-H13-Cl2-N5-O3-S.C6-H15-N-O3

Molecular Weight

  • 575.471
 
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Names and Synonyms

Synonym

  • 4-((5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo)-2,5-dichlorobenzenesulfonic acid, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)

Systematic Names

  • Benzenesulfonic acid, 4-((5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo)-2,5-dichloro-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
  • Benzenesulfonic acid, 4-(2-(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl)-2,5-dichloro-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)

Registry Numbers

CAS Registry Number

  • 62106-21-2

System Generated Number

  • 0062106212

Molecular Formulas

Molecular Formula

  • C16-H13-Cl2-N5-O3-S.C6-H15-N-O3

Molecular Formula Fragments

  • C16-H13-Cl2-N5-O3-S
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C16H13Cl2N5O3S.C6H15NO3/c1-9-15(16(19)23(22-9)10-5-3-2-4-6-10)21-20-13-7-12(18)14(8-11(13)17)27(24,25)26;8-4-1-7(2-5-9)3-6-10/h2-8H,19H2,1H3,(H,24,25,26);8-10H,1-6H2/b21-20-;

InChIKey

JXWGOVHOROKRSH-CFRCJOIHSA-N

Smiles

n1(nc(C)c(\N=N/c2c(Cl)cc(S(=O)(=O)O)c(Cl)c2)c1N)c1ccccc1.OCCN(CCO)CCO