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Substance Name: 7-Benzothiazolesulfonic acid, 2-(4-(2-(4,5-dihydro-1-(hydroxymethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)phenyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
RN: 65072-44-8
InChIKey: NFEAQDWXZVXKFY-UCMDFWOYSA-N

Molecular Formula

  • C19-H17-N5-O5-S2.C6-H15-N-O3

Molecular Weight

  • 459.5053
 
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Names and Synonyms

Synonyms

  • 7-Benzothiazolesulfonic acid, 2-(p-((1-(hydroxymethyl)-3-methyl-5-oxo-2-pyrazolin-4-yl)azo)phenyl)-6-methyl-, compd. with 2,2',2''-nitrilotriethanol (1:1)
  • EINECS 265-373-6

Systematic Names

  • 2-(4-((1-(Hydroxymethyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2',2''-nitrilotris(ethanol) (1:1)
  • 7-Benzothiazolesulfonic acid, 2-(4-((1-(hydroxymethyl)-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-1-(hydroxymethyl)-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

  • 65072-44-8

System Generated Number

  • 0065072448

Molecular Formulas

Molecular Formula

  • C19-H17-N5-O5-S2.C6-H15-N-O3

Molecular Formula Fragments

  • C19-H17-N5-O5-S2
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C19H17N5O5S2/c1-10-3-8-14-16(17(10)31(27,28)29)30-18(20-14)12-4-6-13(7-5-12)21-22-15-11(2)23-24(9-25)19(15)26/h3-8,15,25H,9H2,1-2H3,(H,27,28,29)/b22-21+/t15-/m1/s1

InChIKey

NFEAQDWXZVXKFY-UCMDFWOYSA-N

Smiles

Cc1ccc2c(c1S(=O)(=O)O)sc(n2)c3ccc(cc3)/N=N/[C@@H]4C(=NN(C4=O)CO)C