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Substance Name: 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium bis(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoato(2-))chromate(1-)
RN: 85085-81-0
InChIKey: VMTDEFJAXSTMGY-SFPHUJDWSA-M

Molecular Formula

  • C34-H24-Cr-N8-O6.C28-H31-N2-O3

Molecular Weight

  • 1136.1735
 
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Names and Synonyms

Synonym

  • EINECS 285-401-0

Systematic Name

  • 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium bis(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoato(2-))chromate(1-)

Registry Numbers

CAS Registry Number

  • 85085-81-0

System Generated Number

  • 0085085810

Molecular Formulas

Molecular Formula

  • C34-H24-Cr-N8-O6.C28-H31-N2-O3

Molecular Formula Fragments

  • C28-H31-N2-O3
  • C34-H24-Cr-N8-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C28H30N2O3.2C17H13N4O3.Cr/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;2*1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;/h9-18H,5-8H2,1-4H3;2*2-10H,1H3,(H,23,24);/q;;;+1/p-1/b;2*19-18+;

InChIKey

VMTDEFJAXSTMGY-SFPHUJDWSA-M

Smiles

CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.CC5=NN(C(=O)C56N=Nc7ccccc7C(=O)O[Cr-]68OC(=O)c9ccccc9N=NC8%10C(=NN(C%10=O)c%11ccccc%11)C)c%12ccccc%12