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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',2''-nitrilotris(ethanol) (1:4)
RN: 38801-08-0
InChIKey: LNKNALIQZHNRER-RRJGSHPESA-N

Molecular Formula

  • C35-H24-N6-O13-S2.4C6-H15-N-O3

Molecular Weight

  • 1397.49
 
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Names and Synonyms

Synonym

  • Benzoic acid, 4,4'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo)bis-, compd. with 2,2',2''-nitrilotris(ethanol) (1:4)

Systematic Names

  • Benzoic acid, 4,4'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl))bis-, compd. with 2,2',2''-nitrilotris(ethanol) (1:4)
  • Benzoic acid, 4,4'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo))bis-, compd. with 2,2',2''-nitrilotris(ethanol) (1:4)

Registry Numbers

CAS Registry Number

  • 38801-08-0

System Generated Number

  • 0038801080

Molecular Formulas

Molecular Formula

  • C35-H24-N6-O13-S2.4C6-H15-N-O3

Molecular Formula Fragments

  • C35-H24-N6-O13-S2
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C35H24N6O13S2.4C6H15NO3/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*8-4-1-7(2-5-9)3-6-10/h1-16,42-43H,(H,44,45)(H,46,47)(H2,36,37,48)(H,49,50,51)(H,52,53,54);4*8-10H,1-6H2/b40-38+,41-39+;;;;

InChIKey

LNKNALIQZHNRER-RRJGSHPESA-N

Smiles

N(CCO)(CCO)CCO.N(\c1ccc(C(=O)O)cc1)=N\c1c(c2ccc(cc2cc1S(=O)(=O)O)NC(Nc1cc2c(cc1)c(O)c(\N=N\c1ccc(C(=O)O)cc1)c(S(=O)(=O)O)c2)=O)O.N(CCO)(CCO)CCO.N(CCO)(CCO)CCO.N(CCO)(CCO)CCO