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Substance Name: Cuprate(4-), (2-(amino-kappaN)ethanol-kappaO)aqua(mu-(7-(benzoylamino)-3-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(1-(hydroxy-kappaO)-4,8-disulfo-2-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-1,5-naphthalenedisulfonato(8-)))di-, sodium (1:4)
RN: 86242-92-4
InChIKey: XWHZVCRPRYGJAY-STTNLBSHSA-F

Molecular Formula

  • C41-H28-Cu2-N6-O19-S4.4Na

Molecular Weight

  • 1256.0112
 
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Names and Synonyms

  • Cuprate(4-), (2-(amino-kappaN)ethanol-kappaO)aqua(mu-(7-(benzoylamino)-3-((3,3'-di(hydroxy-kappaO)-4'-((1-(hydroxy-kappaO)-4,8-disulfo-2-naphthalenyl)azo-kappaN1)(1,1'-biphenyl)-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-1,5-naphthalenedisulfonato(8-)))di-, tetrasodium
  • Cuprate(4-), (2-(amino-kappaN)ethanol-kappaO)aqua(mu-(7-(benzoylamino)-3-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(1-(hydroxy-kappaO)-4,8-disulfo-2-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-1,5-naphthalenedisulfonato(8-)))di-, sodium (1:4)

Registry Numbers

CAS Registry Number

  • 86242-92-4

System Generated Number

  • 0086242924

Molecular Formulas

Molecular Formula

  • C41-H28-Cu2-N6-O19-S4.4Na

Molecular Formula Fragments

  • C41-H28-Cu2-N6-O19-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H27N5O17S4.C2H7NO.2Cu.4Na.H2O/c45-29-13-20(9-11-25(29)41-43-27-17-32(63(53,54)55)23-7-4-8-31(62(50,51)52)35(23)37(27)47)21-10-12-26(30(46)14-21)42-44-28-18-33(64(56,57)58)24-15-22(40-39(49)19-5-2-1-3-6-19)16-34(65(59,60)61)36(24)38(28)48;3-1-2-4;;;;;;;/h1-18,45-48H,(H,40,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61);4H,1-3H2;;;;;;;1H2/q;;2*+2;4*+1;/p-8/b43-41+,44-42+;;;;;;;;

InChIKey

XWHZVCRPRYGJAY-STTNLBSHSA-F

Smiles

O.[Na+].[Na+].[Na+].[Na+].NCCO.O=C(Nc1cc2c3c4O[Cu-2]5(Oc6cc(ccc6N=Nc4cc(c3c1)S(=O)(=O)O5)c7ccc8N=Nc9cc%10c%11cccc%12c%11c9O[Cu-2](Oc8c7)(OS%12(=O)=O)OS%10(=O)=O)OS2(=O)=O)c%13ccccc%13