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Substance Name: Tetrasodium 3-((4-ethoxy-3-sulphonatophenyl)azo)-4-hydroxy-7-((((5-hydroxy-7-sulphonato-6-((4-sulphonatophenyl)azo)-2-naphthyl)amino)carbonyl)amino)naphthalene-2-sulphonate
RN: 83763-83-1
InChIKey: OZALKPHYLATCHI-RRJGSHPESA-J

Molecular Formula

  • C35-H28-N6-O16-S4.4Na

Molecular Weight

  • 1004.8246
 
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Names and Synonyms

Synonym

  • EINECS 280-772-5

Systematic Name

  • Tetrasodium 3-((4-ethoxy-3-sulphonatophenyl)azo)-4-hydroxy-7-((((5-hydroxy-7-sulphonato-6-((4-sulphonatophenyl)azo)-2-naphthyl)amino)carbonyl)amino)naphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 83763-83-1

System Generated Number

  • 0083763831

Molecular Formulas

Molecular Formula

  • C35-H28-N6-O16-S4.4Na

Molecular Formula Fragments

  • C35-H28-N6-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H28N6O16S4.4Na/c1-2-57-27-12-7-23(17-28(27)59(48,49)50)39-41-32-30(61(54,55)56)16-19-14-22(6-11-26(19)34(32)43)37-35(44)36-21-5-10-25-18(13-21)15-29(60(51,52)53)31(33(25)42)40-38-20-3-8-24(9-4-20)58(45,46)47;;;;/h3-17,42-43H,2H2,1H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4/b40-38+,41-39+;;;;

InChIKey

OZALKPHYLATCHI-RRJGSHPESA-J

Smiles

CCOc1ccc(cc1S(=O)(=O)[O-])/N=N/c2c(cc3cc(ccc3c2O)NC(=O)Nc4ccc5c(c4)cc(c(c5O)/N=N/c6ccc(cc6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]