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Substance Name: Indicator 5-91
RN: 138272-10-3
InChIKey: FAAYHOMLVZEDGQ-SJTGQFOWSA-K

Molecular Formula

  • C29-H18-Cl-N9-O14-S3.3K

Molecular Weight

  • 962.432
 
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Names and Synonyms

Results Name

  • Indicator 5-91

Name of Substance

  • 6-Chloro-N-(7-(2,4-dinitrophenylazo)-8-hydroxy-6-sulfo-2-naphthyl)-N'-(5,7-disulfo-2-naphthyl)-1,3,5-triazine-2,4-diamine

Synonyms

  • 6-((4-Chloro-6-((7-((2,4-dinitrophenyl)azo)-8-hydroxy-6-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-1,3-naphthalenedisulfonic acid tripotassium salt
  • 6-Chloro-N-(7-(2,4-dinitrophenylazo)-8-hydroxy-6-sulfo-2-naphthyl)-N'-(5,7-disulfo-2-naphthyl)-1,3,5-triazine-2,4-diamine, tripotassium salt
  • Indicator 5-91
  • Indicator compound 5-91

Systematic Name

  • 1,3-Naphthalenedisulfonic acid, 6-((4-chloro-6-((7-((2,4-dinitrophenyl)azo)-8-hydroxy-6-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-, tripotassium salt

Registry Numbers

CAS Registry Number

  • 138272-10-3

System Generated Number

  • 0138272103

Molecular Formulas

Molecular Formula

  • C29-H18-Cl-N9-O14-S3.3K

Molecular Formula Fragments

  • C29-H18-Cl-N9-O14-S3
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C29H18ClN9O14S3.3K/c30-27-33-28(31-15-3-5-19-14(7-15)8-18(54(45,46)47)12-23(19)55(48,49)50)35-29(34-27)32-16-2-1-13-9-24(56(51,52)53)25(26(40)20(13)10-16)37-36-21-6-4-17(38(41)42)11-22(21)39(43)44;;;/h1-12,40H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,31,32,33,34,35);;;/q;3*+1/p-3/b37-36+;;;

InChIKey

FAAYHOMLVZEDGQ-SJTGQFOWSA-K

Smiles

[K+].[K+].[K+].c1(cc(cc2cc(ccc12)Nc1nc(nc(n1)Cl)Nc1cc2c(c(c(cc2cc1)S(=O)(=O)[O-])\N=N\c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-]