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Substance Name: EINECS 289-531-9
RN: 89899-26-3
InChIKey: RSDOHBRSCWETGO-BKCOZAJASA-F

Molecular Formula

  • C40-H21-Cu2-N5-O16-S3.4Na

Molecular Weight

  • 1142.8749
 
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Names and Synonyms

Results Name

  • EINECS 289-531-9

Synonym

  • EINECS 289-531-9

Systematic Names

  • Cuprate(4-), (mu-((4-((6-((3,3'-dihydroxy-4'-((1-hydroxy-3,8-disulfo-2-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-7-sulfo-2-naphthalenyl)amino)phenoxy)acetato(8-)))di-, tetrasodium
  • Tetrasodium (mu-((4-((6-((3,3'-dihydroxy-4'-((1-hydroxy-3,8-disulpho-2-naphthyl)azo)(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-7-sulpho-2-naphthyl)amino)phenoxy)acetato(8-)))dicuprate(4-)

Registry Numbers

CAS Registry Number

  • 89899-26-3

System Generated Number

  • 0089899263

Molecular Formulas

Molecular Formula

  • C40-H21-Cu2-N5-O16-S3.4Na

Molecular Formula Fragments

  • C40-H21-Cu2-N5-O16-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H29N5O16S3.2Cu.4Na/c46-30-15-20(21-5-13-29(31(47)16-21)43-45-38-33(63(55,56)57)17-22-2-1-3-32(62(52,53)54)36(22)40(38)51)4-12-28(30)42-44-37-34(64(58,59)60)18-23-14-25(8-11-27(23)39(37)50)41-24-6-9-26(10-7-24)61-19-35(48)49;;;;;;/h1-18,41,46-47,50-51H,19H2,(H,48,49)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;;/q;2*+2;4*+1/p-8/b44-42+,45-43+;;;;;;

InChIKey

RSDOHBRSCWETGO-BKCOZAJASA-F

Smiles

[Na+].[Na+].[Na+].[Na+].O=C1COc2ccc(Nc3ccc4c5O[Cu-2]6(O1)Oc7cc(ccc7N=Nc5c(cc4c3)S(=O)(=O)O6)c8ccc9N=Nc%10c%11O[Cu-2]%12(Oc9c8)OS(=O)(=O)c%13cccc(cc%10S(=O)(=O)O%12)c%11%13)cc2