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Substance Name: Benzoic acid, 4,4'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl))bis-, compd. with 2,2'-iminobis(ethanol) (1:4)
RN: 72906-34-4
InChIKey: QMRHMJGMFDCWMK-RRJGSHPESA-N

Molecular Formula

  • C35-H24-N6-O13-S2.4C4-H11-N-O2

Molecular Weight

  • 1221.28
 
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Names and Synonyms

Synonyms

  • 4,4'-Ureylenebis((1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2-azo)dibenzoic acid, diethanolamine salt (1:4)
  • EINECS 276-998-9

Systematic Names

  • 4,4'-(Carbonylbis(imino(1-hydroxynaphthalene-6,2-diyl-3-sulpho)azo))bisbenzoic acid, compound with 2,2'-iminobis(ethanol) (1:4)
  • Benzoic acid, 4,4'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl))bis-, compd. with 2,2'-iminobis(ethanol) (1:4)
  • Benzoic acid, 4,4'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo))bis-, compd. with 2,2'-iminobis(ethanol) (1:4)

Registry Numbers

CAS Registry Number

  • 72906-34-4

System Generated Number

  • 0072906344

Molecular Formulas

Molecular Formula

  • C35-H24-N6-O13-S2.4C4-H11-N-O2

Molecular Formula Fragments

  • C35-H24-N6-O13-S2
  • C4-H11-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C35H24N6O13S2.4C4H11NO2/c42-31-25-11-9-23(13-19(25)15-27(55(49,50)51)29(31)40-38-21-5-1-17(2-6-21)33(44)45)36-35(48)37-24-10-12-26-20(14-24)16-28(56(52,53)54)30(32(26)43)41-39-22-7-3-18(4-8-22)34(46)47;4*6-3-1-5-2-4-7/h1-16,42-43H,(H,44,45)(H,46,47)(H2,36,37,48)(H,49,50,51)(H,52,53,54);4*5-7H,1-4H2/b40-38+,41-39+;;;;

InChIKey

QMRHMJGMFDCWMK-RRJGSHPESA-N

Smiles

N(CCO)CCO.C(Nc1cc2cc(S(=O)(=O)O)c(\N=N\c3ccc(C(=O)O)cc3)c(c2cc1)O)(=O)Nc1cc2cc(c(c(c2cc1)O)\N=N\c1ccc(C(=O)O)cc1)S(=O)(=O)O.N(CCO)CCO.N(CCO)CCO.N(CCO)CCO