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Substance Name: C.I. 42700
RN: 1324-86-3
InChIKey: PCHTYMJTDHYWBP-GXYNRHFFSA-M

Molecular Formula

  • C40-H31-N3-O6-S2.Na

Molecular Weight

  • 735.814
 
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Names and Synonyms

Results Name

  • C.I. 42700

Synonyms

  • Acid Bright Blue KLG
  • Anthranil Sky Blue G
  • Benzo Brilliant Sky Blue 8GS
  • Brilliant Pure Blue 8G
  • Brilliant Sky Blue 8GA-CF
  • Brilliant Sky Blue RRMA-CF
  • C.I. 42700
  • C.I. Direct Blue 41
  • EINECS 215-387-3
  • Isamine Blue (Biological stain)
  • Isamine Blue, sodium salt
  • NSC 13990
  • NSC 51542
  • Pyrrol Blue (Biological Stain)

Systematic Names

  • C.I. Direct Blue 41, sodium salt (8CI)
  • Naphthalenesulfonic acid, 2-((4-((4-amino-3-methylphenyl)(4-((sulfo-2-naphthalenyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)amino)-, monosodium salt
  • Naphthalenesulfonic acid, 2-((4-((4-amino-3-methylphenyl)(4-((sulfo-2-naphthalenyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)amino)-, sodium salt (1:1)
  • Sodium hydrogen 2-((4-((4-amino-m-tolyl)(4-((sulphonato-2-naphthyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)amino)naphthalene-1-sulphonate

Registry Numbers

CAS Registry Number

  • 1324-86-3

Other Registry Numbers

  • 33340-38-4
  • 856785-64-3

System Generated Number

  • 0001324863

Molecular Formulas

Molecular Formula

  • C40-H31-N3-O6-S2.Na

Molecular Formula Fragments

  • C40-H31-N3-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H31N3O6S2.Na/c1-25-24-30(14-21-35(25)41)38(28-10-17-31(18-11-28)42-36-22-15-26-6-2-4-8-33(26)39(36)50(44,45)46)29-12-19-32(20-13-29)43-37-23-16-27-7-3-5-9-34(27)40(37)51(47,48)49;/h2-24,42H,41H2,1H3,(H,44,45,46)(H,47,48,49);/q;+1/p-1/b38-29-,43-32+;

InChIKey

PCHTYMJTDHYWBP-GXYNRHFFSA-M

Smiles

[Na+].c1(c(ccc2ccccc12)\N=C1\C=C\C(C=C1)=C(\c1ccc(cc1)Nc1c(c2ccccc2cc1)S(=O)(=O)O)c1cc(c(cc1)N)C)S(=O)(=O)[O-]