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Substance Name: 7-Benzothiazolesulfonic acid, 2-(4-(2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)phenyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
RN: 70776-28-2
InChIKey: SZXSYHQSZIBLRO-QUABFQRHSA-N

Molecular Formula

  • C18-H15-N5-O4-S2.C6-H15-N-O3

Molecular Weight

  • 578.668
 
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Names and Synonyms

Synonyms

  • 6-Methyl-2-(p((3-methyl-5-oxo-2-pyrazolin-4-yl)azo)phenyl)-7-benzothiazolesulfonic acid, compd. with 2,2',2''-nitrilotriethanol (1:1)
  • 6-Methyl-2-(p-((3-methyl-5-oxo-2-pyrazolin-4-yl)azo)phenyl)-7-benzothiazolesulfonic acid, compd. with 2,2',2''-nitrilotriethanol (1:1)
  • 7-Benzothiazolesulfonic acid, 6-methyl-2-(4-((3-methyl-5-oxo-2-pyrazolin-4-yl)azo)phenyl)-, compound with 2,2',2''-nitrilotris(ethanol) (1:1)

Systematic Names

  • 7-Benzothiazolesulfonic acid, 2-(4-((4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
  • 7-Benzothiazolesulfonic acid, 2-(4-(2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)phenyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)

Registry Numbers

CAS Registry Number

  • 70776-28-2

System Generated Number

  • 0070776282

Molecular Formulas

Molecular Formula

  • C18-H15-N5-O4-S2.C6-H15-N-O3

Molecular Formula Fragments

  • C18-H15-N5-O4-S2
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C18H15N5O4S2.C6H15NO3/c1-9-3-8-13-15(16(9)29(25,26)27)28-18(19-13)11-4-6-12(7-5-11)21-22-14-10(2)20-23-17(14)24;8-4-1-7(2-5-9)3-6-10/h3-8,14H,1-2H3,(H,23,24)(H,25,26,27);8-10H,1-6H2/b22-21+;

InChIKey

SZXSYHQSZIBLRO-QUABFQRHSA-N

Smiles

N(CCO)(CCO)CCO.s1c(nc2c1c(c(cc2)C)S(=O)(=O)O)c1ccc(cc1)\N=N\[C@@H]1C(=NNC1=O)C