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Substance Name: EINECS 275-724-5
RN: 71617-70-4
InChIKey: RFZIRBAYULYVBD-VTJVUKANSA-G

Molecular Formula

  • C38-H19-Cu2-N8-O14-S2.3Na

Molecular Weight

  • 1071.8041
 
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Names and Synonyms

Results Name

  • EINECS 275-724-5

Synonym

  • EINECS 275-724-5

Systematic Names

  • Cuprate(3-), (mu-(5-((4-((6-(4-((2-(carboxy-kappaO)phenyl)azo-kappaN1)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)-2-(hydroxy-kappaO)-4-sulfo-1-naphthalenyl)azo-kappaN1)-3-(hydroxy-kappaO)-7-sulfo-1-naphthalenyl)azo)-2-hydroxybenzoato(7-)))di-, trisodium
  • Cuprate(3-), (mu-(5-((4-((6-(4-((2-carboxyphenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2-hydroxy-4-sulfo-1-naphthalenyl)azo)-3-hydroxy-7-sulfo-1-naphthalenyl)azo)-2-hydroxybenzoato(7-)))di-, trisodium
  • Cuprate(3-), (mu-(5-(2-(4-(2-(6-(4-(2-(2-(carboxy-kappaO)phenyl)diazenyl-kappaN1)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)-2-(hydroxy-kappaO)-4-sulfo-1-naphthalenyl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-7-sulfo-1-naphthalenyl)diazenyl)-2-hydroxybenzoato(7-)))di-, sodium (1:3)

Registry Numbers

CAS Registry Number

  • 71617-70-4

Other Registry Number

  • 93893-93-7

System Generated Number

  • 0071617704

Molecular Formulas

Molecular Formula

  • C38-H19-Cu2-N8-O14-S2.3Na

Molecular Formula Fragments

  • C38-H19-Cu2-N8-O14-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H26N8O14S2.2Cu.3Na/c1-17-33(42-40-27-5-3-2-4-23(27)37(51)52)36(50)46(45-17)19-7-9-22-25(13-19)32(62(58,59)60)16-31(49)35(22)44-43-34-21-10-8-20(61(55,56)57)14-24(21)28(15-30(34)48)41-39-18-6-11-29(47)26(12-18)38(53)54;;;;;/h2-16,33,47-49H,1H3,(H,51,52)(H,53,54)(H,55,56,57)(H,58,59,60);;;;;/q;2*+2;3*+1/p-7/b41-39+,42-40+,44-43+;;;;;

InChIKey

RFZIRBAYULYVBD-VTJVUKANSA-G

Smiles

[Na+].[Na+].[Na+].CC1=NN2C(=O)C1N=Nc3ccccc3C(=O)O[Cu-]4Oc5cc(c6cc2ccc6c5N=Nc7c8O[Cu-2]9%10OC(=O)c%11cc(ccc%11O9)N=Nc(c8)c%12cc(ccc7%12)S(=O)(=O)O%10)S(=O)(=O)O4