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Substance Name: Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl)-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:1)
RN: 94236-80-3
InChIKey: WHTVZYIBXMALHI-LTRPLHCISA-N

Molecular Formula

  • C16-H35-N.C16-H13-Cl-N4-O4-S

Molecular Weight

  • 634.281
 
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Names and Synonyms

Synonym

  • EINECS 304-076-9

Systematic Names

  • 4-Chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)benzenesulphonic acid, compound with bis(2-ethylhexyl)amine (1:1)
  • Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl)-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:1)
  • Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:1)

Registry Numbers

CAS Registry Number

  • 94236-80-3

System Generated Number

  • 0094236803

Molecular Formulas

Molecular Formula

  • C16-H35-N.C16-H13-Cl-N4-O4-S

Molecular Formula Fragments

  • C16-H13-Cl-N4-O4-S
  • C16-H35-N
  • COMPONENT

Structure Descriptors

InChI

1S/C16H13ClN4O4S.C16H35N/c1-10-15(19-18-11-5-3-2-4-6-11)16(22)21(20-10)14-9-12(26(23,24)25)7-8-13(14)17;1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h2-9,15H,1H3,(H,23,24,25);15-17H,5-14H2,1-4H3/b19-18+;

InChIKey

WHTVZYIBXMALHI-LTRPLHCISA-N

Smiles

C([C@@H](CC)CCCC)NC[C@@H](CC)CCCC.c1(cc(c(cc1)Cl)N1N=C([C@@H](C1=O)\N=N\c1ccccc1)C)S(=O)(=O)O