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Substance Name: EINECS 275-632-5
RN: 71566-33-1
InChIKey: FYOJYGSWVSPPCQ-IQCDYXPOSA-M

Molecular Formula

  • C28-H31-N2-O3.C20-H13-Cr-N4-O5-S

Molecular Weight

  • 916.972
 
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Names and Synonyms

Results Name

  • EINECS 275-632-5

Synonym

  • EINECS 275-632-5

Systematic Names

  • 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium (4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-hydroxynaphthalene-1-sulphonato(3-))chromate(1-)
  • Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, (4-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))chromate(1-)
  • Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, (4-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))chromate(1-) (1:1)

Registry Numbers

CAS Registry Number

  • 71566-33-1

System Generated Number

  • 0071566331

Molecular Formulas

Molecular Formula

  • C28-H31-N2-O3.C20-H13-Cr-N4-O5-S

Molecular Formula Fragments

  • C20-H13-Cr-N4-O5-S
  • C28-H31-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C28H30N2O3.C20H15N4O5S.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;1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29;/h9-18H,5-8H2,1-4H3;2-11,25H,1H3,(H,27,28,29);/q;-1;+2/p-1/b;22-21+;

InChIKey

FYOJYGSWVSPPCQ-IQCDYXPOSA-M

Smiles

c1c2c(c(c3c([o+]2)cc(cc3)N(CC)CC)c2ccccc2C(O)=O)ccc1N(CC)CC.N=1N(C([C@@-](C1C)\N=N\c1c([O-])cc(c2c1cccc2)S([O-])(=O)=O)=O)c1ccccc1.[Cr+2]