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Substance Name: Procion red HE-3B
RN: 68214-04-0
InChIKey: JCHWMQZZTLGTJZ-GIWZGSJSSA-H

Classification Code

  • Coloring Agents

Molecular Formula

  • C44-H30-Cl2-N14-O20-S6.6Na

Molecular Weight

  • 1469.99
 
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Names and Synonyms

Name of Substance

  • Procion red HE-3B

Synonyms

  • 4,4'-(1,4-Phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-((2-sulfophenyl)azo)-2,7-naphthalenesulfonic acid, hexasodium salt
  • 5,5'-(1,4-Phenylene)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino)bis(4-hydroxy-3-((2-sulfophenyl)azo)-2,7-naphthalenedisulfonic acid), hexasodium salt
  • EINECS 269-284-3

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4,4'-(1,4-phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-((2-sulfophenyl)azo)-, hexasodium salt
  • 2,7-Naphthalenedisulfonic acid, 4,4'-(1,4-phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:6)
  • 4,4'-(1,4-Phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-((2-sulfophenyl)azo)-2,7-naphthalenedisulfonic acid), hexasodium salt
  • Hexasodium 4,4'-(1,4-phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-((2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate)

Registry Numbers

CAS Registry Number

  • 68214-04-0

Other Registry Number

  • 207295-85-0

System Generated Number

  • 0068214040

Molecular Formulas

Molecular Formula

  • C44-H30-Cl2-N14-O20-S6.6Na

Molecular Formula Fragments

  • C44-H30-Cl2-N14-O20-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H30Cl2N14O20S6.6Na/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74;;;;;;/h1-18,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56);;;;;;/q;6*+1/p-6/b59-57+,60-58+;;;;;;

InChIKey

JCHWMQZZTLGTJZ-GIWZGSJSSA-H

Smiles

c1(cc2c(c(Nc3nc(nc(Nc4ccc(Nc5nc(Nc6c7c(c(\N=N\c8c(S([O-])(=O)=O)cccc8)c(cc7cc(S([O-])(=O)=O)c6)S([O-])(=O)=O)O)nc(n5)Cl)cc4)n3)Cl)cc(c2)S([O-])(=O)=O)c(c1\N=N\c1c(cccc1)S(=O)(=O)[O-])O)S([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]