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Substance Name: 1-Naphthalenesulfonic acid, 2-(2-(1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)
RN: 75768-94-4
InChIKey: HTSZFIVOAVSMQE-VPMNAVQSSA-N

Molecular Formula

  • C20-H15-Cl-N4-O7-S2.2C6-H15-N-O3

Molecular Weight

  • 821.3215
 
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Names and Synonyms

Synonym

  • 2-((1-(2-Chloro-5-sulfophenyl)-3-methyl-5-oxo-2-pyrazolin-4-yl)azo)-1-naphthalenesulfonic acid, triethanolamine salt (1:2)

Systematic Names

  • 1-Naphthalenesulfonic acid, 2-((1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)
  • 1-Naphthalenesulfonic acid, 2-(2-(1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)

Registry Numbers

CAS Registry Number

  • 75768-94-4

System Generated Number

  • 0075768944

Molecular Formulas

Molecular Formula

  • C20-H15-Cl-N4-O7-S2.2C6-H15-N-O3

Molecular Formula Fragments

  • C20-H15-Cl-N4-O7-S2
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C20H15ClN4O7S2.2C6H15NO3/c1-11-18(20(26)25(24-11)17-10-13(33(27,28)29)7-8-15(17)21)23-22-16-9-6-12-4-2-3-5-14(12)19(16)34(30,31)32;2*8-4-1-7(2-5-9)3-6-10/h2-10,18H,1H3,(H,27,28,29)(H,30,31,32);2*8-10H,1-6H2/b23-22+;;

InChIKey

HTSZFIVOAVSMQE-VPMNAVQSSA-N

Smiles

CC1=NN(C(=O)C1/N=N/c2ccc3ccccc3c2S(=O)(=O)O)c4cc(ccc4Cl)S(=O)(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO