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Substance Name: EINECS 281-880-5
RN: 84051-90-1
InChIKey: HVBKENDZWQTFQH-NRBVTQTFSA-H

Molecular Formula

  • C46-H34-Cl2-N18-O20-S6.6Na

Molecular Weight

  • 1554.0752
 
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Names and Synonyms

Results Name

  • EINECS 281-880-5

Synonym

  • EINECS 281-880-5

Systematic Name

  • Hexasodium 7,7'-(1,2-phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-((aminocarbonyl)amino)-4,1-phenylene)azo))bis(naphthalene-1,3,6-trisulphonate)

Registry Numbers

CAS Registry Number

  • 84051-90-1

System Generated Number

  • 0084051901

Molecular Formulas

Molecular Formula

  • C46-H34-Cl2-N18-O20-S6.6Na

Molecular Formula Fragments

  • C46-H34-Cl2-N18-O20-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C46H34Cl2N18O20S6.6Na/c47-39-57-43(51-21-5-7-29(31(13-21)53-41(49)67)63-65-33-17-25-19(11-37(33)91(81,82)83)9-23(87(69,70)71)15-35(25)89(75,76)77)61-45(59-39)55-27-3-1-2-4-28(27)56-46-60-40(48)58-44(62-46)52-22-6-8-30(32(14-22)54-42(50)68)64-66-34-18-26-20(12-38(34)92(84,85)86)10-24(88(72,73)74)16-36(26)90(78,79)80;;;;;;/h1-18H,(H3,49,53,67)(H3,50,54,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,51,55,57,59,61)(H2,52,56,58,60,62);;;;;;/q;6*+1/p-6/b65-63+,66-64+;;;;;;

InChIKey

HVBKENDZWQTFQH-NRBVTQTFSA-H

Smiles

c1cc(c(cc1)Nc2nc(nc(n2)Nc3cc(c(cc3)/N=N/c4c(cc5c(c4)c(cc(c5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)Cl)Nc6nc(nc(n6)Nc7cc(c(cc7)/N=N/c8c(cc9c(c8)c(cc(c9)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]