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Substance Name: 1-Naphthalenesulfonic acid, 2-(2-(1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, sodium salt, compd. with 2,2',2''-nitrilotris(ethanol) (1:?:?)
RN: 68966-47-2
InChIKey: HNAHPPLGEMVVCB-KPOOZVEVSA-M

Molecular Formula

  • C20-H14-Cl2-N4-O7-S2.x-C6-H15-N-O3.x-Na

Molecular Weight

  • 728.56
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 68966-47-2

System Generated Number

  • 0068966472

Molecular Formulas

Molecular Formula

  • C20-H14-Cl2-N4-O7-S2.x-C6-H15-N-O3.x-Na

Molecular Formula Fragments

  • C20-H14-Cl2-N4-O7-S2
  • C6-H15-N-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H14Cl2N4O7S2.C6H15NO3.Na/c1-10-18(20(27)26(25-10)16-8-14(22)17(9-13(16)21)34(28,29)30)24-23-15-7-6-11-4-2-3-5-12(11)19(15)35(31,32)33;8-4-1-7(2-5-9)3-6-10;/h2-9,18H,1H3,(H,28,29,30)(H,31,32,33);8-10H,1-6H2;/q;;+1/p-1/b24-23+;;

InChIKey

HNAHPPLGEMVVCB-KPOOZVEVSA-M

Smiles

c12c(cccc1)ccc(c2S(=O)(=O)O)\N=N\[C@@H]1C(=O)N(c2c(Cl)cc(S(=O)(=O)[O-])c(Cl)c2)N=C1C.N(CCO)(CCO)CCO.[Na+]