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CHEBI:52749 - Ir(Cs)2(acac)

ChEBI IDCHEBI:52749
ChEBI NameIr(Cs)2(acac)
Stars
ASCII NameIr(Cs)2(acac)
DefinitionAn iridium coordination entity composed of iridium(III) coordinated to an acetoacetonate and two 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2H-chromen-2-one units.
Last Modified14 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC45H41IrN4O6S2
Net Charge0
Average Mass990.196
Monoisotopic Mass990.20968
SMILESCCN(CC)c1ccc2[c]3[Ir]45([O]/C(C)=C\C(C)=[O]->4)([c]4c(-c6sc7ccccc7[n]->56)c(=O)oc5cc(N(CC)CC)ccc45)<-[n]4c(-c3c(=O)oc2c1)sc1ccccc14
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
Ir(Cs)2(acac) (CHEBI:52749) has role fluorochrome (CHEBI:51217)
Ir(Cs)2(acac) (CHEBI:52749) is a iridium coordination entity (CHEBI:52667)
Ir(Cs)2(acac) (CHEBI:52749) is a organoiridium compound (CHEBI:52647)
IUPAC Name 
bis[3-(1,3-benzothiazol-2-yl-κN)-7-(diethylamino)-2-oxo-2H-chromen-4-yl-κC4][4-(hydroxy-κO)pent-3-en-2-onato-κO]iridium