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Substance Name: Kayarus Supra Yellow GLS Dye
RN: 82469-75-8
InChIKey: HEFNLTVMTBRWSN-LOZUIFCHSA-G

Molecular Formula

  • C57-H39-Cu2-N14-O22-S5.5Na

Molecular Weight

  • 1674.38
 
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Names and Synonyms

Results Name

  • Kayarus Supra Yellow GLS Dye

Synonyms

  • EINECS 279-970-4
  • Kayarus Supra Yellow GLS Dye

Systematic Names

  • Cuprate(5-), (mu-(2-((1-(4-(2-(4-((4-((4-(2-(4-(4-((2-(carboxy-kappaO)phenyl)azo-kappaN1)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)-2-sulfophenyl)ethenyl)-3-sulfophenyl)amino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-3-sulfophenyl)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-4-yl)azo-kappaN1)-5-sulfobenzoato(9-)-kappaO))di-, pentasodium
  • Cuprate(5-), (mu-(2-((1-(4-(2-(4-((4-((4-(2-(4-(4-((2-carboxyphenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2-sulfophenyl)ethenyl)-3-sulfophenyl)amino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-3-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-5-sulfobenzoato(9-)))di-, pentasodium
  • Cuprate(5-), (mu-(2-(2-(1-(4-(2-(4-((4-((4-(2-(4-(4-(2-(2-(carboxy-kappaO)phenyl)diazenyl-kappaN1)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)-2-sulfophenyl)ethenyl)-3-sulfophenyl)amino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-3-sulfophenyl)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)-5-sulfobenzoato(9-)-kappaO))di-, sodium (1:5)

Registry Numbers

CAS Registry Number

  • 82469-75-8

Other Registry Number

  • 86438-36-0

System Generated Number

  • 0082469758

Molecular Formulas

Molecular Formula

  • C57-H39-Cu2-N14-O22-S5.5Na

Molecular Formula Fragments

  • C57-H39-Cu2-N14-O22-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C57H46N14O22S5.2Cu.5Na/c1-30-49(66-64-43-19-17-39(94(78,79)80)29-41(43)54(76)77)51(72)70(67-30)37-16-20-45(95(81,82)83)35(26-37)11-10-34-12-14-36(27-46(34)96(84,85)86)58-55-60-56(62-57(61-55)69-21-23-93-24-22-69)59-44-18-8-32(25-48(44)98(90,91)92)7-9-33-13-15-38(28-47(33)97(87,88)89)71-52(73)50(31(2)68-71)65-63-42-6-4-3-5-40(42)53(74)75;;;;;;;/h3-20,25-29H,21-24H2,1-2H3,(H,74,75)(H,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H2,58,59,60,61,62);;;;;;;/q-2;2*+2;5*+1/p-7/b9-7+,11-10+,65-63+,66-64+;;;;;;;

InChIKey

HEFNLTVMTBRWSN-LOZUIFCHSA-G

Smiles

[Cu+2].O=C1N(N=C([C@@-]1\N=N\c1c(cccc1)C(=O)[O-])C)c1cc(S([O-])(=O)=O)c(cc1)\C=C\c1cc(S([O-])(=O)=O)c(cc1)Nc1nc(Nc2cc(S([O-])(=O)=O)c(\C=C\c3cc(N4C(=O)[C@@-](\N=N\c5ccc(S([O-])(=O)=O)cc5C(=O)[O-])C(=N4)C)ccc3S([O-])(=O)=O)cc2)nc(n1)N1CCOCC1.[Cu+2].[Na+].[Na+].[Na+].[Na+].[Na+]