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Substance Name: Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, (T-4)-hydroxy(2-(hydroxy-kappaO)-5-nitro-3-(2-(2-(oxo-kappaO)-1-((phenylamino)carbonyl)propyl)diazenyl-kappaN1)benzenesulfonato(3-))chromate(1-) (1:1)
RN: 94276-35-4
InChIKey: UYEMKWXGDRZYDC-HJHSFYIBSA-K

Molecular Formula

  • C28-H31-N2-O3.C16-H12-Cr-N4-O9-S

Molecular Weight

  • 930.908
 
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Names and Synonyms

Synonyms

  • Compound
  • EINECS 304-520-1

Systematic Names

  • 9-(2-(Ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium (3-((1-(carbaniloyl)-2-oxopropyl)azo)-2-hydroxy-5-nitrobenzenesulphonato(3-))hydroxychromate(1-)
  • Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, (T-4)-hydroxy(2-(hydroxy-kappaO)-5-nitro-3-((2-(oxo-kappaO)-1-((phenylamino)carbonyl)propyl)azo-kappaN1)benzenesulfonato(3-))chromate(1-)
  • Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, (T-4)-hydroxy(2-(hydroxy-kappaO)-5-nitro-3-(2-(2-(oxo-kappaO)-1-((phenylamino)carbonyl)propyl)diazenyl-kappaN1)benzenesulfonato(3-))chromate(1-) (1:1)
  • Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, hydroxy(2-hydroxy-5-nitro-3-((2-oxo-1-((phenylamino)carbonyl)propyl)azo)benzene sulfonato(3-))chromate(1-)

Registry Numbers

CAS Registry Number

  • 94276-35-4

System Generated Number

  • 0094276354

Molecular Formulas

Molecular Formula

  • C28-H31-N2-O3.C16-H12-Cr-N4-O9-S

Molecular Formula Fragments

  • C16-H12-Cr-N4-O9-S
  • C28-H31-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C28H31N2O3.C16H14N4O8S.Cr.O/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;1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;;/h9-16,29-30H,6-8H2,1-5H3;2-8,21-22H,1H3,(H,17,23)(H,26,27,28);;/q+1;;+3;/p-3/b;14-9-,19-18+;;

InChIKey

UYEMKWXGDRZYDC-HJHSFYIBSA-K

Smiles

c1(c(NCC)cc2c(c1)c(c1c(cccc1)C(=O)OCC)c1cc(c(cc1[o+]2)NCC)C)C.[O-]\C(=C(/N=N/c1c([O-])c(cc(c1)[N+](=O)[O-])S([O-])(=O)=O)C(=O)Nc1ccccc1)C.O=[Cr+3]