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Substance Name: EINECS 269-502-7
RN: 68258-99-1
InChIKey: QGTVPHDLNMATTC-LOSWNTLOSA-M

Molecular Formula

  • C31-H25-N9-O9-S.Na

Molecular Weight

  • 721.641
 
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Names and Synonyms

Results Name

  • EINECS 269-502-7

Synonyms

  • 1-Naphthalenesulfonic acid, 3-hydroxy-4-((1-(4-(3-(4-(5-hydroxy-3-methylpyrazol-1-yl)phenyl)ureido)phenyl)-5-hydroxy-3-methylpyrazol-4-yl)azo)-7-nitro-,sodium salt
  • EINECS 269-502-7

Systematic Names

  • 1-Naphthalenesulfonic acid, 4-((1-(4-((((4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)amino)carbonyl)amino)phenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-3-hydroxy-7-nitro-, monosodium salt
  • 1-Naphthalenesulfonic acid, 4-(2-(1-(4-((((4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)amino)carbonyl)amino)phenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-3-hydroxy-7-nitro-, sodium salt (1:1)
  • Sodium 4-((1-(4-((((4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)amino)carbonyl)amino)phenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-3-hydroxy-7-nitronaphthalene-1-sulphonate

Registry Numbers

CAS Registry Number

  • 68258-99-1

System Generated Number

  • 0068258991

Molecular Formulas

Molecular Formula

  • C31-H25-N9-O9-S.Na

Molecular Formula Fragments

  • C31-H25-N9-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H25N9O9S.Na/c1-16-13-27(42)38(36-16)20-7-3-18(4-8-20)32-31(44)33-19-5-9-21(10-6-19)39-30(43)28(17(2)37-39)34-35-29-23-12-11-22(40(45)46)14-24(23)26(15-25(29)41)50(47,48)49;/h3-12,14-15,28,41H,13H2,1-2H3,(H2,32,33,44)(H,47,48,49);/q;+1/p-1/b35-34+;

InChIKey

QGTVPHDLNMATTC-LOSWNTLOSA-M

Smiles

[Na+].c1(cc(c(c2ccc(cc12)[N+](=O)[O-])\N=N\[C@@H]1C(=NN(C1=O)c1ccc(cc1)NC(=O)Nc1ccc(cc1)N1N=C(CC1=O)C)C)O)S(=O)(=O)[O-]