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Substance Name: Cuprate(4-), (5-(acetylamino)-4-hydroxy-3-(2-(5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-7-sulfo-2-naphthalenyl)diazenyl)-2,7-naphthalenedisulfonato(6-))-, hydrogen (1:4)
RN: 68516-98-3
InChIKey: UMVLMDXFVTWBOP-RURGCGJRSA-L

Molecular Formula

  • C30-H19-Cu-N5-O19-S5.4H

Molecular Weight

  • 981.404
 
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Names and Synonyms

Synonyms

  • Copper, (1-hydroxy-2-((2-hydroxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-6-((1-hydroxy-8-acetylamino-3,6-disulfo-2-naphthalenyl)azo)-3-naphthalenesulfonato(2-))-
  • EINECS 271-186-0

Systematic Names

  • Cuprate(4-), (5-(acetylamino)-4-hydroxy-3-((5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-7-sulfo-2-naphthalenyl)azo)-2,7-naphthalenedisulfonato(6-))-, tetrahydrogen
  • Cuprate(4-), (5-(acetylamino)-4-hydroxy-3-(2-(5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-7-sulfo-2-naphthalenyl)diazenyl)-2,7-naphthalenedisulfonato(6-))-, hydrogen (1:4)
  • Tetrahydrogen (5-acetamido-4-hydroxy-3-((5-hydroxy-6-((2-hydroxy-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-7-sulpho-2-naphthyl)azo)naphthalene-2,7-disulphonato(6-))cuprate(4-)

Registry Numbers

CAS Registry Number

  • 68516-98-3

System Generated Number

  • 0068516983

Molecular Formulas

Molecular Formula

  • C30-H19-Cu-N5-O19-S5.4H

Molecular Formula Fragments

  • C30-H19-Cu-N5-O19-S5
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C30H25N5O19S5.Cu/c1-14(36)31-22-12-19(56(42,43)44)9-16-11-25(58(48,49)50)28(30(39)26(16)22)34-32-17-2-4-20-15(8-17)10-24(57(45,46)47)27(29(20)38)35-33-21-5-3-18(13-23(21)37)55(40,41)7-6-54-59(51,52)53;/h2-5,8-13,37-39H,6-7H2,1H3,(H,31,36)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);/q;+2/p-2/b34-32+,35-33+;

InChIKey

UMVLMDXFVTWBOP-RURGCGJRSA-L

Smiles

[Cu+2].S(=O)(=O)(c1cc2c(c(c1\N=N\c1cc3cc(c(c(c3cc1)[O-])\N=N\c1ccc(cc1[O-])S(=O)(=O)CCOS([O-])(=O)=O)S([O-])(=O)=O)O)c(cc(S(=O)(=O)[O-])c2)NC(C)=O)[O-]