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Substance Name: EINECS 298-940-1
RN: 93840-74-5
InChIKey: LLZAIXZTCBGOQN-BOXWNSCSSA-F

Molecular Formula

  • C32-H16-Cu2-N6-O16-S4.x-C12-H27-N-O6.4H

Molecular Weight

  • 1277.2067
 
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Names and Synonyms

Results Name

  • EINECS 298-940-1

Synonym

  • EINECS 298-940-1

Systematic Name

  • Cuprate(4-), (mu-((3,3'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxy-2,7-naphthalenedisulfonato))(8-)))di-, tetrahydrogen, compd. with 2,2',2''-(nitrilotris(2,1-ethanediyloxy))tris(ethanol)

Registry Numbers

CAS Registry Number

  • 93840-74-5

System Generated Number

  • 0093840745

Molecular Formulas

Molecular Formula

  • C32-H16-Cu2-N6-O16-S4.x-C12-H27-N-O6.4H

Molecular Formula Fragments

  • C12-H27-N-O6
  • C32-H16-Cu2-N6-O16-S4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C32H24N6O16S4.C12H27NO6.2Cu/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);14-16H,1-12H2;;/q;;2*+4/p-8/b37-35+,38-36+;;;

InChIKey

LLZAIXZTCBGOQN-BOXWNSCSSA-F

Smiles

Nc1cc2cc3cc4c5N=Nc6ccc(cc6O[Cu](Oc5c13)(OS2(=O)=O)OS4(=O)=O)c7ccc8N=Nc9c%10O[Cu]%11(Oc8c7)OS(=O)(=O)c%12cc(N)c%10c(c%12)cc9S(=O)(=O)O%11.OCCOCCN(CCOCCO)CCOCCO