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Substance Name: EINECS 276-411-6
RN: 72152-58-0
InChIKey: YGJDZUMJNJRZBB-CRLMKPFESA-K

Molecular Formula

  • C26-H19-N7-O14-S3.3Na

Molecular Weight

  • 815.615
 
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Names and Synonyms

Results Name

  • EINECS 276-411-6

Synonym

  • EINECS 276-411-6

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-3-((2-hydroxy-3-nitro-5-sulfophenyl)azo)-, trisodium salt
  • 2,7-Naphthalenedisulfonic acid, 5-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-4-hydroxy-3-(2-(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl)-, sodium salt (1:3)
  • Trisodium 5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-3-((2-hydroxy-3-nitro-5-sulphonatophenyl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 72152-58-0

System Generated Number

  • 0072152580

Molecular Formulas

Molecular Formula

  • C26-H19-N7-O14-S3.3Na

Molecular Formula Fragments

  • C26-H19-N7-O14-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H19N7O14S3.3Na/c1-12-22(26(36)32(31-12)14-5-3-2-4-6-14)29-27-17-9-15(48(39,40)41)7-13-8-20(50(45,46)47)23(25(35)21(13)17)30-28-18-10-16(49(42,43)44)11-19(24(18)34)33(37)38;;;/h2-11,22,34-35H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b29-27+,30-28+;;;

InChIKey

YGJDZUMJNJRZBB-CRLMKPFESA-K

Smiles

[Na+].[Na+].[Na+].c1c(c(c(c2c(cc(cc12)S(=O)(=O)[O-])\N=N\[C@@H]1C(=NN(C1=O)c1ccccc1)C)O)\N=N\c1c(c(cc(c1)S(=O)(=O)[O-])[N+](=O)[O-])O)S(=O)(=O)[O-]