Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium (5-((5-chloro-2-hydroxyphenyl)azo)-6-hydroxynaphthalene-2-sulphonato(3-))hydroxychromate(1-)
RN: 94277-70-0
InChIKey: IVGXBEHLJIVHFE-WVOUBUHVSA-K

Molecular Formula

  • C28-H31-N2-O3.C16-H9-Cl-Cr-N2-O6-S

Molecular Weight

  • 888.334
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 304-655-6

Systematic Names

  • 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium (5-((5-chloro-2-hydroxyphenyl)azo)-6-hydroxynaphthalene-2-sulphonato(3-))hydroxychromate(1-)
  • Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, (5-((5-chloro-2-hydroxyphenyl)azo)-6-hydroxy-2-naphthalenesulfonato(3-))hydroxychromate(1-)

Registry Numbers

CAS Registry Number

  • 94277-70-0

System Generated Number

  • 0094277700

Molecular Formulas

Molecular Formula

  • C28-H31-N2-O3.C16-H9-Cl-Cr-N2-O6-S

Molecular Formula Fragments

  • C16-H9-Cl-Cr-N2-O6-S
  • C28-H31-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C28H30N2O3.C16H11ClN2O5S.Cr.H2O/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;17-10-2-6-14(20)13(8-10)18-19-16-12-4-3-11(25(22,23)24)7-9(12)1-5-15(16)21;;/h9-18H,5-8H2,1-4H3;1-8,20-21H,(H,22,23,24);;1H2/q;;+3;/p-3/b;19-18+;;

InChIKey

IVGXBEHLJIVHFE-WVOUBUHVSA-K

Smiles

CCN(CC)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccccc4C(=O)O)N(CC)CC.c1cc2c\3c4c1cc(cc4)S(=O)(=O)O[Cr-](O2)(Oc5ccc(cc5/N=N3)Cl)O