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Substance Name: 2-Naphthalenesulfonic acid, 3-(2-(4-(((4-(4-(2-(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)amino)carbonyl)-2-methylphenyl)diazenyl)-7-(4,5-dihydro-4-(2-(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl)-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-hydroxy-, sodium salt (1:3)
RN: 70209-89-1
InChIKey: YGHCRSDTNIZVDI-VTEQFSHVSA-N

Molecular Formula

  • C44-H33-Cl-N12-O17-S3.3Na

Molecular Weight

  • 1202.4327
 
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Names and Synonyms

Synonyms

  • 3-((4-(((4-(4-((3-Chloro-2-hydroxy-5-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)amino)carbonyl)-2-methylphenyl)azo)-7-(4,5-dihydro-4-((2-hydroxy-3-nitro-5-sulfophenyl)azo)-7-(4,5-dihydro-4-((2-hydroxy-3-nitro-5-sulfophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-hydroxy-2-naphthalenesulfonic acid, trisodium salt
  • EINECS 274-388-7

Systematic Names

  • 2-Naphthalenesulfonic acid, 3-((4-(((4-(4-((3-chloro-2-hydroxy-5-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)amino)carbonyl)-2-methylphenyl)azo)-7-(4,5-dihydro-4-((2-hydroxy-3-nitro-5-sulfophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-hydroxy-, trisodium salt
  • 2-Naphthalenesulfonic acid, 3-(2-(4-(((4-(4-(2-(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)amino)carbonyl)-2-methylphenyl)diazenyl)-7-(4,5-dihydro-4-(2-(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl)-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-hydroxy-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 70209-89-1

System Generated Number

  • 0070209891

Molecular Formulas

Molecular Formula

  • C44-H33-Cl-N12-O17-S3.3Na

Molecular Formula Fragments

  • C44-H33-Cl-N12-O17-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H33ClN12O17S3.3Na/c1-19-12-22(42(61)46-24-5-7-25(8-6-24)55-43(62)36(20(2)53-55)50-48-32-16-27(75(66,67)68)15-30(45)40(32)59)4-11-31(19)47-52-38-35(77(72,73)74)14-23-13-26(9-10-29(23)39(38)58)56-44(63)37(21(3)54-56)51-49-33-17-28(76(69,70)71)18-34(41(33)60)57(64)65;;;/h4-18,36-37,58-60H,1-3H3,(H,46,61)(H,66,67,68)(H,69,70,71)(H,72,73,74);;;/q;3*+1/b50-48+,51-49+,52-47+;;;

InChIKey

YGHCRSDTNIZVDI-VTEQFSHVSA-N

Smiles

Cc1cc(ccc1/N=N/c2c(cc3cc(ccc3c2O)N4C(=O)C(C(=N4)C)/N=N/c5cc(cc(c5O)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc6ccc(cc6)N7C(=O)C(C(=N7)C)/N=N/c8cc(cc(c8O)Cl)S(=O)(=O)O.[Na+].[Na+].[Na+]