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Substance Name: EINECS 274-500-4
RN: 70247-71-1
InChIKey: VBMBISMTENROJT-JOFOIKHVSA-F

Molecular Formula

  • C51-H32-Cu2-N10-O19-S4.4Na

Molecular Weight

  • 1436.1808
 
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Names and Synonyms

Results Name

  • EINECS 274-500-4

Synonyms

  • Cuprate(4-), ((2,2'-(carbonyldiimino)bis(((2-sulfo-4,1-phenylene)-2,1-ethenediyl(3-sulfo-4,1-phenylene))-3-methyl-5-oxo-2-pyrazolin-1,4-diyl)azo)bis(benzoato)(8-))di-, tetrasodium
  • Cuprate(4-), (mu-((2,2'-((carbonyldiimino)bis((2-sulfo-4,1-phenylene)-2,1-ethenediyl(3-sulfo-4,1-phenylene)(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo))bis(benzoato))(8-)))di-, tetrasodium
  • EINECS 274-500-4

Systematic Names

  • Cuprate(4-), (mu-((2,2'-(carbonylbis(imino(2-sulfo-4,1-phenylene)-2,1-ethenediyl(3-sulfo-4,1-phenylene)(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazole-1,4-diyl)-2,1-diazenediyl-kappaN1))bis(benzoato-kappaO))(8-)))di-, sodium (1:4)
  • Cuprate(4-), (mu-((2,2'-(carbonylbis(imino(2-sulfo-4,1-phenylene)-2,1-ethenediyl(3-sulfo-4,1-phenylene)(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazole-1,4-diyl)azo-kappaN1))bis(benzoato-kappaO))(8-)))di-, tetrasodium
  • Cuprate(4-), (mu-((2,2'-(carbonylbis(imino(2-sulfo-4,1-phenylene)-2,1-ethenediyl(3-sulfo-4,1-phenylene)(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo))bis(benzoato))(8-)))di-, tetrasodium
  • Tetrasodium (mu-((2,2'-(carbonylbis(imino(2-sulpho-p-phenylene)vinylene(3-sulpho-p-phenylene)(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo))bis(benzoato))(8-)))dicuprate(4-)

Registry Numbers

CAS Registry Number

  • 70247-71-1

System Generated Number

  • 0070247711

Molecular Formulas

Molecular Formula

  • C51-H32-Cu2-N10-O19-S4.4Na

Molecular Formula Fragments

  • C51-H32-Cu2-N10-O19-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C51H40N10O19S4.2Cu.4Na/c1-27-45(56-54-39-9-5-3-7-37(39)49(64)65)47(62)60(58-27)35-21-17-31(43(25-35)83(75,76)77)13-11-29-15-19-33(23-41(29)81(69,70)71)52-51(68)53-34-20-16-30(42(24-34)82(72,73)74)12-14-32-18-22-36(26-44(32)84(78,79)80)61-48(63)46(28(2)59-61)57-55-40-10-6-4-8-38(40)50(66)67;;;;;;/h3-26,62-63H,1-2H3,(H,64,65)(H,66,67)(H2,52,53,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80);;;;;;/q;2*+2;4*+1/p-8/b13-11+,14-12+,56-54+,57-55+;;;;;;

InChIKey

VBMBISMTENROJT-JOFOIKHVSA-F

Smiles

[Na+].[Na+].[Na+].[Na+].Cc1nn2c3O[Cu-2]4(OC(=O)c5ccccc5N=Nc13)OS(=O)(=O)c6cc(NC(=O)Nc7ccc8\C=C\c9ccc%10cc9S(=O)(=O)O[Cu-2]%11(OC(=O)c%12ccccc%12N=Nc%13c(C)nn%10c%13O%11)OS(=O)(=O)c8c7)ccc6\C=C\c%14ccc2cc%14S(=O)(=O)O4