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Substance Name: Benzoic acid, 2-(2-(6-((4-(2-(6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)
RN: 72152-50-2
InChIKey: RJWRCCXNBNASSI-NMDGNJELSA-K

Molecular Formula

  • C42-H30-N6-O12-S2.3Na

Molecular Weight

  • 940.807
 
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Names and Synonyms

Synonym

  • EINECS 276-404-8

Systematic Names

  • Benzoic acid, 2-((6-((4-((6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, trisodium salt
  • Benzoic acid, 2-(2-(6-((4-(2-(6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)
  • Trisodium 2-((6-((4-((6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3-methylbenzoyl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)benzoate

Registry Numbers

CAS Registry Number

  • 72152-50-2

System Generated Number

  • 0072152502

Molecular Formulas

Molecular Formula

  • C42-H30-N6-O12-S2.3Na

Molecular Formula Fragments

  • C42-H30-N6-O12-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H30N6O12S2.3Na/c1-22-17-24(41(52)44-28-13-15-30-26(19-28)21-35(62(58,59)60)37(39(30)50)48-46-33-10-6-5-9-31(33)42(53)54)11-16-32(22)45-47-36-34(61(55,56)57)20-25-18-27(12-14-29(25)38(36)49)43-40(51)23-7-3-2-4-8-23;;;/h2-21,49-50H,1H3,(H,43,51)(H,44,52)(H,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3/b47-45+,48-46+;;;

InChIKey

RJWRCCXNBNASSI-NMDGNJELSA-K

Smiles

[Na+].[Na+].[Na+].C(c1c(cccc1)\N=N\c1c(c2ccc(cc2cc1S(=O)(=O)[O-])NC(c1cc(c(cc1)\N=N\c1c(c2ccc(cc2cc1S(=O)(=O)[O-])NC(c1ccccc1)=O)O)C)=O)O)(=O)[O-]