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Substance Name: EINECS 279-806-1
RN: 81737-16-8
InChIKey: HMOZSHWNOYOHBR-UUIOKUIJSA-J

Molecular Formula

  • C32-H14-Cu2-N4-O16-S4.4H

Molecular Weight

  • 969.8622
 
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Names and Synonyms

Results Name

  • EINECS 279-806-1

Synonym

  • EINECS 279-806-1

Systematic Name

  • Tetrahydrogen (mu-((4,4'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(3-hydroxynaphthalene-2,7-disulphonato))(8-)))dicuprate(4-)

Registry Numbers

CAS Registry Number

  • 81737-16-8

System Generated Number

  • 0081737168

Molecular Formulas

Molecular Formula

  • C32-H14-Cu2-N4-O16-S4.4H

Molecular Formula Fragments

  • C32-H14-Cu2-N4-O16-S4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C32H22N4O16S4.2Cu/c37-25-11-15(1-7-23(25)33-35-29-21-5-3-19(53(41,42)43)9-17(21)13-27(31(29)39)55(47,48)49)16-2-8-24(26(38)12-16)34-36-30-22-6-4-20(54(44,45)46)10-18(22)14-28(32(30)40)56(50,51)52;;/h1-14,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;/q;2*+2/p-4/b35-33+,36-34+;;

InChIKey

HMOZSHWNOYOHBR-UUIOKUIJSA-J

Smiles

O=S1(=O)O[Cu-2]23Oc4cc(ccc4N=Nc5c(O2)c(cc6cc1ccc56)S(=O)(=O)O3)c7ccc8N=Nc9c%10O[Cu-2]%11(Oc8c7)OS(=O)(=O)c%12ccc9c(c%12)cc%10S(=O)(=O)O%11