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Substance Name: EINECS 280-194-3
RN: 83137-16-0
InChIKey: NPKJKSXNCQYACQ-AQBRTFBSSA-H

Molecular Formula

  • C46-H30-Cl2-N14-O18-S4.6Na

Molecular Weight

  • 1397.89
 
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Names and Synonyms

Results Name

  • EINECS 280-194-3

Synonym

  • EINECS 280-194-3

Systematic Names

  • Benzoic acid, 4,4'-(1,3-phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfo-1,7-naphthalenediyl)-2,1-diazenediyl))bis-, sodium salt (1:6)
  • Benzoic acid, 4,4'-(1,3-phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfo-1,7-naphthalenediyl)azo))bis-, hexasodium salt
  • Hexasodium p,p'-(m-phenylenebis(imino(6-chloro-1,3,5-triazine-2,4-diyl)imino(8-hydroxy-3,6-disulphonato-1,7-naphthylene)azo))dibenzoate

Registry Numbers

CAS Registry Number

  • 83137-16-0

System Generated Number

  • 0083137160

Molecular Formulas

Molecular Formula

  • C46-H30-Cl2-N14-O18-S4.6Na

Molecular Formula Fragments

  • C46-H30-Cl2-N14-O18-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C46H30Cl2N14O18S4.6Na/c47-41-53-43(57-45(55-41)51-35-31(83(75,76)77)14-21-12-27(81(69,70)71)17-29(33(21)37(35)63)61-59-23-8-4-19(5-9-23)39(65)66)49-25-2-1-3-26(16-25)50-44-54-42(48)56-46(58-44)52-36-32(84(78,79)80)15-22-13-28(82(72,73)74)18-30(34(22)38(36)64)62-60-24-10-6-20(7-11-24)40(67)68;;;;;;/h1-18,63-64H,(H,65,66)(H,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,49,51,53,55,57)(H2,50,52,54,56,58);;;;;;/q;6*+1/p-6/b61-59+,62-60+;;;;;;

InChIKey

NPKJKSXNCQYACQ-AQBRTFBSSA-H

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].c1(cc(ccc1)Nc1nc(nc(n1)Cl)Nc1c(cc2cc(cc(c2c1O)\N=N\c1ccc(C(=O)[O-])cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])Nc1nc(nc(n1)Cl)Nc1c(cc2cc(cc(c2c1O)\N=N\c1ccc(C(=O)[O-])cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]