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Substance Name: Benzoic acid, 4-((1-hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)azo)-,sodium salt, compd. with 2,2',2''-(nitrilotris(2,1-ethanediyloxy) )tris(ethanol)
RN: 93840-48-3
InChIKey: MLQAMPHHBKZVSD-DVDDBBOFSA-N

Molecular Formula

  • C34-H24-N6-O11-S2.x-C12-H27-N-O6.x-Na

Molecular Weight

  • 1061.0629
 
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Names and Synonyms

Synonym

  • EINECS 298-912-9

Systematic Name

  • Benzoic acid, 4-((1-hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)azo)-,sodium salt, compd. with 2,2',2''-(nitrilotris(2,1-ethanediyloxy) )tris(ethanol)

Registry Numbers

CAS Registry Number

  • 93840-48-3

System Generated Number

  • 0093840483

Molecular Formulas

Molecular Formula

  • C34-H24-N6-O11-S2.x-C12-H27-N-O6.x-Na

Molecular Formula Fragments

  • C12-H27-N-O6
  • C34-H24-N6-O11-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H24N6O11S2.C12H27NO6.Na/c41-27-16-19-14-24(11-13-26(19)32(53(49,50)51)29(27)39-37-21-4-2-1-3-5-21)36-34(45)35-23-10-12-25-20(15-23)17-28(52(46,47)48)30(31(25)42)40-38-22-8-6-18(7-9-22)33(43)44;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);14-16H,1-12H2;/q;;+1/b39-37+,40-38+;;

InChIKey

MLQAMPHHBKZVSD-DVDDBBOFSA-N

Smiles

[Na+].OCCOCCN(CCOCCO)CCOCCO.OC(=O)c1ccc(cc1)N=Nc2c(O)c3ccc(NC(=O)Nc4ccc5c(c(N=Nc6ccccc6)c(O)cc5c4)S(=O)(=O)O)cc3cc2S(=O)(=O)O