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Substance Name: EINECS 277-496-2
RN: 73507-22-9
InChIKey: XJPSDMZFWOALOT-GZEJJAMTSA-G

Molecular Formula

  • C38-H20-Cu2-N5-O13-S3.3Na

Molecular Weight

  • 1046.858
 
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Names and Synonyms

Results Name

  • EINECS 277-496-2

Synonym

  • EINECS 277-496-2

Systematic Name

  • Trisodium (mu-(3-((4'-((6-anilino-1-hydroxy-3-sulpho-2-naphthyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-2,7-disulphonato(7-)))dicuprate(3-)

Registry Numbers

CAS Registry Number

  • 73507-22-9

System Generated Number

  • 0073507229

Molecular Formulas

Molecular Formula

  • C38-H20-Cu2-N5-O13-S3.3Na

Molecular Formula Fragments

  • C38-H20-Cu2-N5-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H27N5O13S3.2Cu.3Na/c44-31-16-20(6-12-29(31)40-42-35-33(58(51,52)53)18-22-14-25(8-10-27(22)37(35)46)39-24-4-2-1-3-5-24)21-7-13-30(32(45)17-21)41-43-36-34(59(54,55)56)19-23-15-26(57(48,49)50)9-11-28(23)38(36)47;;;;;/h1-19,39,44-47H,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;/q;2*+2;3*+1/p-7/b42-40+,43-41+;;;;;

InChIKey

XJPSDMZFWOALOT-GZEJJAMTSA-G

Smiles

[Na+].[Na+].[Na+].O=S1(=O)O[Cu-]2Oc3cc(ccc3N=Nc4c(O2)c5ccc(Nc6ccccc6)cc5cc14)c7ccc8N=Nc9c%10O[Cu-2]%11(Oc8c7)OS(=O)(=O)c%12ccc%10c(c%12)cc9S(=O)(=O)O%11