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Substance Name: Benzoic acid, 2-hydroxy-5-(2-(4-((4-((8-hydroxy-7-(2-(4-(2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-2-methoxy-5-methylphenyl)diazenyl)-3,6-disulfo-1-naphthalenyl)amino)-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:5)
RN: 75268-71-2
InChIKey: MQWSONOCLFNIKR-OTPKHQLLSA-I

Molecular Formula

  • C51-H40-N12-O18-S4.5Na

Molecular Weight

  • 1347.12
 
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Names and Synonyms

Synonym

  • EINECS 278-159-2

Systematic Names

  • Benzoic acid, 2-hydroxy-5-((4-((4-((8-hydroxy-7-((4-((8-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-2-methoxy-5-methylphenyl)azo)-3,6-disulfo-1-naphthalenyl)amino)-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, pentasodium salt
  • Benzoic acid, 2-hydroxy-5-(2-(4-((4-((8-hydroxy-7-(2-(4-(2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-2-methoxy-5-methylphenyl)diazenyl)-3,6-disulfo-1-naphthalenyl)amino)-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:5)

Registry Numbers

CAS Registry Number

  • 75268-71-2

Other Registry Number

  • 83221-47-0

System Generated Number

  • 0075268712

Molecular Formulas

Molecular Formula

  • C51-H40-N12-O18-S4.5Na

Molecular Formula Fragments

  • C51-H40-N12-O18-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C51H40N12O18S4.5Na/c1-25-15-37(42(81-3)24-36(25)59-61-39-22-33(83(72,73)74)16-26-17-34(84(75,76)77)23-41(65)44(26)39)60-62-46-43(85(78,79)80)19-27-18-32(82(69,70)71)21-38(45(27)47(46)66)53-50-54-49(55-51(56-50)63(2)31-7-5-4-6-8-31)52-28-9-11-29(12-10-28)57-58-30-13-14-40(64)35(20-30)48(67)68;;;;;/h4-24,64-66H,1-3H3,(H,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,52,53,54,55,56);;;;;/q;5*+1/p-5/b58-57+,61-59+,62-60+;;;;;

InChIKey

MQWSONOCLFNIKR-OTPKHQLLSA-I

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].C(c1c(ccc(c1)\N=N\c1ccc(cc1)Nc1nc(nc(n1)Nc1cc(cc2cc(c(c(c12)O)\N=N\c1c(cc(c(c1)C)\N=N\c1cc(cc2cc(cc(c12)O)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)S(=O)(=O)[O-])S(=O)(=O)[O-])N(c1ccccc1)C)O)(=O)[O-]