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Substance Name: Cuprate(4-), (2-(2-(4,5-dihydro-1-(4-(2-(3-(hydroxy-kappaO)-4-(2-(1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)-7-sulfo-1-naphthalenyl)diazenyl)phenyl)-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-5-sulfobenzoato(6-))-, sodium hydrogen (1:3:1)
RN: 72391-05-0
InChIKey: NMAGSRFLBPWDOS-AFNMOOBISA-I

Molecular Formula

  • C43-H25-Cu-N9-O14-S3.H.3Na

Molecular Weight

  • 1121.4414
 
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Names and Synonyms

Synonym

  • EINECS 276-630-7

Systematic Names

  • Cuprate(4-), (2-((4,5-dihydro-1-(4-((3-(hydroxy-kappaO)-4-((1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo-kappaN1)-7-sulfo-1-naphthalenyl)azo)phenyl)-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-5-sulfobenzoato(6-))-, trisodium hydrogen
  • Cuprate(4-), (2-((4,5-dihydro-1-(4-((3-hydroxy-4-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-7-sulfo-1-naphthalenyl)azo)phenyl)-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-5-sulfobenzoato(6-))-, trisodium hydrogen
  • Cuprate(4-), (2-((4,5-dihydro-1-(4-((3-hydroxy-4-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-7-sulfo-1-naphthalenyl)azo)phenyl)-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-5-sulfobenzoato(6-))-,trisodium hydrogen
  • Cuprate(4-), (2-(2-(4,5-dihydro-1-(4-(2-(3-(hydroxy-kappaO)-4-(2-(1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)-7-sulfo-1-naphthalenyl)diazenyl)phenyl)-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-5-sulfobenzoato(6-))-, sodium hydrogen (1:3:1)

Registry Numbers

CAS Registry Number

  • 72391-05-0

System Generated Number

  • 0072391050

Molecular Formulas

Molecular Formula

  • C43-H25-Cu-N9-O14-S3.H.3Na

Molecular Formula Fragments

  • C43-H25-Cu-N9-O14-S3
  • COMPONENT
  • H
  • Na

Structure Descriptors

InChI

1S/C43H31N9O14S3.Cu.3Na/c1-22-38(48-46-34-16-13-29(68(61,62)63)20-33(34)43(56)57)42(55)52(51-22)27-10-7-25(8-11-27)45-47-35-21-36(53)39(31-15-12-28(19-32(31)35)67(58,59)60)49-50-40-37(69(64,65)66)18-23-17-26(9-14-30(23)41(40)54)44-24-5-3-2-4-6-24;;;;/h2-21,38,44,53-54H,1H3,(H,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66);;;;/q;+2;3*+1/p-5/b47-45+,48-46+,50-49+;;;;

InChIKey

NMAGSRFLBPWDOS-AFNMOOBISA-I

Smiles

[H+].CC1=NN2c3ccc(cc3)/N=N/c4cc5c\6c7c4cc(cc7)S(=O)(=O)O[Cu-4]89(O5)(Oc3c4ccc(cc4cc(c3/N=N6)S(=O)(=O)O8)Nc3ccccc3)OC(=O)c3cc(ccc3/N=N/C1C2=O)S(=O)(=O)O9.[Na+].[Na+].[Na+]