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Substance Name: Cuprate(3-), (4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-2,7-naphthalenedisulfonato(5-))-, hydrogen (1:3)
RN: 71735-57-4
InChIKey: RQTHMDOLCPISJZ-RXQWRGDBSA-L

Molecular Formula

  • C20-H7-Cl3-Cu-N5-O11-S3.3H

Molecular Weight

  • 762.426
 
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Names and Synonyms

Synonym

  • EINECS 275-956-7

Systematic Names

  • Cuprate(3-), (4-(hydroxy-kappaO)-3-((2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN1)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-2,7-naphthalenedisulfonato(5-))-, trihydrogen
  • Cuprate(3-), (4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-2,7-naphthalenedisulfonato(5-))-, hydrogen (1:3)
  • Trihydrogen (4-hydroxy-3-((2-hydroxy-5-sulphophenyl)azo)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)naphthalene-2,7-disulphonato(5-))cuprate(3-)

Registry Numbers

CAS Registry Number

  • 71735-57-4

System Generated Number

  • 0071735574

Molecular Formulas

Molecular Formula

  • C20-H7-Cl3-Cu-N5-O11-S3.3H

Molecular Formula Fragments

  • C20-H7-Cl3-Cu-N5-O11-S3
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C20H12Cl3N5O11S3.Cu/c21-15-18(22)25-20(23)26-19(15)24-11-6-9(41(34,35)36)3-7-4-13(42(37,38)39)16(17(30)14(7)11)28-27-10-5-8(40(31,32)33)1-2-12(10)29;/h1-6,29-30H,(H,24,25,26)(H,31,32,33)(H,34,35,36)(H,37,38,39);/q;+2/p-2/b28-27+;

InChIKey

RQTHMDOLCPISJZ-RXQWRGDBSA-L

Smiles

[Cu+2].S(=O)(c1cc2c(c(c1)Nc1c(c(nc(n1)Cl)Cl)Cl)c(c(c(c2)S([O-])(=O)=O)\N=N\c1cc(S([O-])(=O)=O)ccc1[O-])[O-])([O-])=O