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Substance Name: EINECS 277-501-8
RN: 73507-27-4
InChIKey: BRMLZWABBCDULS-QZDUKHOHSA-D

Molecular Formula

  • C43-H18-Cl-Cu2-N9-O24-S6.6Na

Molecular Weight

  • 1537.5352
 
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Names and Synonyms

Results Name

  • EINECS 277-501-8

Synonym

  • EINECS 277-501-8

Systematic Name

  • Cuprate(6-), (mu-(4-((8-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-4'-((1-hydroxy-3,6,8-trisulfo-2-naphthalenyl)azo)(1,1'-biphenyl)-3,3'-dicarboxylato(10-)))di-, hexasodium

Registry Numbers

CAS Registry Number

  • 73507-27-4

System Generated Number

  • 0073507274

Molecular Formulas

Molecular Formula

  • C43-H18-Cl-Cu2-N9-O24-S6.6Na

Molecular Formula Fragments

  • C43-H18-Cl-Cu2-N9-O24-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C43H28ClN9O24S6.2Cu.6Na/c44-41-47-42(45-21-2-1-3-22(14-21)78(60,61)62)49-43(48-41)46-29-15-23(79(63,64)65)8-19-12-31(82(72,73)74)35(37(54)33(19)29)52-50-27-6-4-17(10-25(27)39(56)57)18-5-7-28(26(11-18)40(58)59)51-53-36-32(83(75,76)77)13-20-9-24(80(66,67)68)16-30(81(69,70)71)34(20)38(36)55;;;;;;;;/h1-16,54-55H,(H,56,57)(H,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H2,45,46,47,48,49);;;;;;;;/q;2*+2;6*+1/p-10/b52-50+,53-51+;;;;;;;;

InChIKey

BRMLZWABBCDULS-QZDUKHOHSA-D

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Clc1nc2Nc3cccc(c3)S(=O)(=O)O[Cu-3]456OC(=O)c7cc(ccc7N=Nc8c(O4)c9c(Nc(n1)n2)cc(cc9cc8S(=O)(=O)O5)S(=O)(=O)O6)c%10ccc%11N=Nc%12c%13O[Cu-3]%14%15(OC(=O)c%11c%10)OS(=O)(=O)c%16cc(c%13c(c%16)cc%12S(=O)(=O)O%14)S(=O)(=O)O%15