Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Tris(9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium) bis(4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-hydroxynaphthalene-1-sulphonato(3-))chromate(3-)
RN: 79682-34-1
InChIKey: SOGAQCOPOGAHCN-DDONDVSHSA-M

Molecular Formula

  • C40-H26-Cr-N8-O10-S2.3C28-H31-N2-O3

Molecular Weight

  • 2225.5111
 
* 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 279-235-8

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 79682-34-1

System Generated Number

  • 0079682341

Molecular Formulas

Molecular Formula

  • C40-H26-Cr-N8-O10-S2.3C28-H31-N2-O3

Molecular Formula Fragments

  • C28-H31-N2-O3
  • C40-H26-Cr-N8-O10-S2
  • COMPONENT

Structure Descriptors

InChI

1S/3C28H30N2O3.2C20H15N4O5S.Cr/c3*1-5-29(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*1-12-18(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;/h3*9-18H,5-8H2,1-4H3;2*2-11,25H,1H3,(H,27,28,29);/q;;;;;+1/p-1/b;;;2*22-21+;

InChIKey

SOGAQCOPOGAHCN-DDONDVSHSA-M

Smiles

CCN(CC)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccccc4C(=O)O)N(CC)CC.CCN(CC)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccccc4C(=O)O)N(CC)CC.CCN(CC)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccccc4C(=O)O)N(CC)CC.CC1=NN(C(=O)C12N=Nc3c4ccccc4c5cc3O[Cr-3]267(C8(C(=NN(C8=O)c9ccccc9)C)N=Nc1c2ccccc2c(cc1O6)S(=O)(=O)O7)OS5(=O)=O)c1ccccc1