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Substance Name: Cuprate(3-), (3-(2-(5-(hydroxy-kappaO)-4-(2-(1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)-2-methylphenyl)diazenyl)-1,5-naphthalenedisulfonato(5-))-, hydrogen, compd. with 2,2'-iminobis(ethanol) (1:3:3)
RN: 1078726-27-8
InChIKey: FZPNLJJFMJACPA-NCQXEAFNSA-L

Classification Codes

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA Flag S (Substance is Identified in a Final Significant New Use Rule)

Molecular Formula

  • C33-H20-Cu-N5-O11-S3.3C4-H11-N-O2.3H

Molecular Weight

  • 1140.7204
 
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Names and Synonyms

  • Cuprate(3-), (3-(2-(5-(hydroxy-kappaO)-4-(2-(1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)-2-methylphenyl)diazenyl)-1,5-naphthalenedisulfonato(5-))-, hydrogen, compd. with 2,2'-iminobis(ethanol) (1:3:3)

Registry Numbers

CAS Registry Number

  • 1078726-27-8

System Generated Number

  • 1078726278

Structure Descriptors

InChI

1S/C33H25N5O11S3.3C4H11NO2.Cu/c1-18-12-27(28(39)17-26(18)36-35-22-15-25-24(30(16-22)51(44,45)46)8-5-9-29(25)50(41,42)43)37-38-32-31(52(47,48)49)14-19-13-21(10-11-23(19)33(32)40)34-20-6-3-2-4-7-20;3*6-3-1-5-2-4-7;/h2-17,34,39-40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);3*5-7H,1-4H2;/q;;;;+2/p-2/b36-35+,38-37+;;;;

InChIKey

FZPNLJJFMJACPA-NCQXEAFNSA-L

Smiles

Cc1cc2N=Nc3c4O[Cu-3]56(Oc2cc1N=Nc7cc(c8cccc(c8c7)S(=O)(=O)O5)S(=O)(=O)O6)OS(=O)(=O)c3cc9cc(Nc%10ccccc%10)ccc49.OCCNCCO.OCCNCCO.OCCNCCO