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Substance Name: Tetrasodium 8,8'-(cyclohexylidenebis(4,1-phenyleneazo))bis(7-hydroxynaphthalene-1,3-disulphonate)
RN: 85098-59-5
InChIKey: RUGQEAFTXGKIHH-PTBAIPEQSA-J

Molecular Formula

  • C38-H32-N4-O14-S4.4Na

Molecular Weight

  • 984.8772
 
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Names and Synonyms

Synonym

  • EINECS 285-409-4

Systematic Name

  • Tetrasodium 8,8'-(cyclohexylidenebis(4,1-phenyleneazo))bis(7-hydroxynaphthalene-1,3-disulphonate)

Registry Numbers

CAS Registry Number

  • 85098-59-5

System Generated Number

  • 0085098595

Molecular Formulas

Molecular Formula

  • C38-H32-N4-O14-S4.4Na

Molecular Formula Fragments

  • C38-H32-N4-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H32N4O14S4.4Na/c43-30-14-4-22-18-28(57(45,46)47)20-32(59(51,52)53)34(22)36(30)41-39-26-10-6-24(7-11-26)38(16-2-1-3-17-38)25-8-12-27(13-9-25)40-42-37-31(44)15-5-23-19-29(58(48,49)50)21-33(35(23)37)60(54,55)56;;;;/h4-15,18-21,43-44H,1-3,16-17H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4/b41-39+,42-40+;;;;

InChIKey

RUGQEAFTXGKIHH-PTBAIPEQSA-J

Smiles

c1c(ccc(c1)/N=N/c2c3c(cc(cc3ccc2O)S(=O)(=O)[O-])S(=O)(=O)[O-])C4(CCCCC4)c5ccc(cc5)/N=N/c6c7c(cc(cc7ccc6O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]