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Substance Name: C.I. Reactive Blue 52
RN: 74204-30-1
InChIKey: WYLPRZYEXMIHEO-HEFBIOBMSA-K

Molecular Formula

  • C25-H12-Cl3-Cu-N6-O9-S2.H.2Na

Molecular Weight

  • 822.4356
 
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Names and Synonyms

Results Name

  • C.I. Reactive Blue 52

Synonyms

  • C.I. Reactive Blue 52
  • EINECS 277-768-0

Systematic Names

  • Cuprate(3-), (2-((2-((2-(hydroxy-kappaO)-5-sulfo-3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)imino-kappaN)-1-phenylethyl)azo-kappaN1)-5-sulfobenzoato(5-)-kappaO)-, disodium hydrogen
  • Cuprate(3-), (2-((2-((2-hydroxy-5-sulfo-3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)imino)-1-phenylethyl)azo)-5-sulfobenzoato(5-))-, disodium hydrogen
  • Cuprate(3-), (2-(2-(2-((2-(hydroxy-kappaO)-5-sulfo-3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)imino-kappaN)-1-phenylethyl)diazenyl-kappaN1)-5-sulfobenzoato(5-)-kappaO)-, sodium hydrogen (1:2:1)
  • Disodium hydrogen (2-((2-((2-hydroxy-5-sulpho-3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)imino)-1-phenylethyl)azo)-5-sulphobenzoato(5-))cuprate(3-)

Superlist Name

  • C.I. Reactive Blue 52

Registry Numbers

CAS Registry Number

  • 74204-30-1

System Generated Number

  • 0074204301

Molecular Formulas

Molecular Formula

  • C25-H12-Cl3-Cu-N6-O9-S2.H.2Na

Molecular Formula Fragments

  • C25-H12-Cl3-Cu-N6-O9-S2
  • COMPONENT
  • H
  • Na

Structure Descriptors

InChI

1S/C25H17Cl3N6O9S2.Cu.2Na/c26-20-22(27)31-25(28)32-23(20)30-18-10-14(45(41,42)43)9-17(21(18)35)29-11-19(12-4-2-1-3-5-12)34-33-16-7-6-13(44(38,39)40)8-15(16)24(36)37;;;/h1-11,19,35H,(H,36,37)(H,30,31,32)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3/b29-11+,34-33+;;;

InChIKey

WYLPRZYEXMIHEO-HEFBIOBMSA-K

Smiles

[Na+].[Na+].Clc1nc(Cl)c(Cl)c(Nc2cc3cc4\N=C\C(N=Nc5ccc6cc5C(=O)O[Cu-3](Oc24)(OS6(=O)=O)OS3(=O)=O)c7ccccc7)n1