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Substance Name: Xanthylium, 3-(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)-6-(ethylamino)-, (2,4-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoato(2-))chromate(1-)
RN: 73297-20-8
InChIKey: FSISKRWMKSWPNM-MCYTZAHVSA-J

Molecular Formula

  • C33-H23-Cr-N9-O7.C28-H31-N2-O3

Molecular Weight

  • 1153.16
 
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Names and Synonyms

  • Xanthylium, 3-(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)-6-(ethylamino)-, (2,4-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoato(2-))chromate(1-)

Registry Numbers

CAS Registry Number

  • 73297-20-8

System Generated Number

  • 0073297208

Molecular Formulas

Molecular Formula

  • C33-H23-Cr-N9-O7.C28-H31-N2-O3

Molecular Formula Fragments

  • C28-H31-N2-O3
  • C33-H23-Cr-N9-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C28H31N2O3.C17H14N4O3.C16H13N5O4.Cr/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;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;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;/h9-16,29-30H,6-8H2,1-5H3;2-10,22H,1H3,(H,23,24);2-9,22-23H,1H3;/q+1;;;+3/p-4/b;19-18+;18-17+;

InChIKey

FSISKRWMKSWPNM-MCYTZAHVSA-J

Smiles

c1(C)c(NCC)cc2c(c1)c(c1c(cccc1)C(OCC)=O)c1c([o+]2)cc(c(c1)C)NCC.n1n(c2ccccc2)c([O-])c(\N=N\c2c(ccc(c2)[N+]([O-])=O)[O-])c1C.c1(c(c(nn1c1ccccc1)C)\N=N\c1ccccc1C([O-])=O)[O-].[Cr+3]