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Substance Name: Ink Blue PP
RN: 10534-74-4
InChIKey: UGILYVONGDSSCA-PDGWSMIXSA-H

Molecular Formula

  • C34-H26-N6-O20-S6.6Na

Molecular Weight

  • 1162.89
 
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Names and Synonyms

Results Name

  • Ink Blue PP

Synonyms

  • EINECS 234-102-3
  • Ink Blue PP

Systematic Name

  • Hexasodium 6,6'-(vinylenebis((3-sulphonato-4,1-phenylene)azo))bis(4-amino-5-hydroxynaphthalene-1,3-disulphonate)

Registry Numbers

CAS Registry Number

  • 10534-74-4

System Generated Number

  • 0010534744

Molecular Formulas

Molecular Formula

  • C34-H26-N6-O20-S6.6Na

Molecular Formula Fragments

  • C34-H26-N6-O20-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H26N6O20S6.6Na/c35-31-27(65(55,56)57)13-25(63(49,50)51)19-7-9-21(33(41)29(19)31)39-37-17-5-3-15(23(11-17)61(43,44)45)1-2-16-4-6-18(12-24(16)62(46,47)48)38-40-22-10-8-20-26(64(52,53)54)14-28(66(58,59)60)32(36)30(20)34(22)42;;;;;;/h1-14,41-42H,35-36H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;;/q;6*+1/p-6/b2-1+,39-37+,40-38+;;;;;;

InChIKey

UGILYVONGDSSCA-PDGWSMIXSA-H

Smiles

c1c(cc(c(c1)/C=C/c2c(cc(cc2)/N=N/c3c(c4c(c(cc(c4cc3)S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c5c(c6c(c(cc(c6cc5)S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]