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CHEBI:51498 - (CS)2Ir(μ-Cl)2Ir(CS)2

ChEBI IDCHEBI:51498
ChEBI Name(CS)2Ir(μ-Cl)2Ir(CS)2
Stars
ASCII Name(CS)2Ir(mu-Cl)2Ir(CS)2
Definitionμ-chloro-bridged dimer of iridium(III) bis [3-(benzothiazol-2-yl)-7-(diethylamino)coumarin)]
Last Modified12 March 2012
SubmitterInma Spiteri
DownloadsMolfile
FormulaC72H52Cl2Ir2N8O8S4
Net Charge0
Average Mass1740.864
Monoisotopic Mass1740.14265
SMILESCN(C)c1ccc2[c]3c(c(=O)oc2c1)C1=[N](c2ccccc2S1)[Ir]312([Cl][Ir]34([Cl]1)([c]1c(c(=O)oc5cc(N(C)C)ccc15)C1=[N]3c3ccccc3S1)[c]1c(c(=O)oc3cc(N(C)C)ccc13)C1=[N]4c3ccccc3S1)[c]1c(c(=O)oc3cc(N(C)C)ccc13)C1=[N]2c2ccccc2S1
InChIInChI=1S/4C18H13N2O2S.2Cl.2Ir/c4*1-20(2)12-8-7-11-9-13(18(21)22-15(11)10-12)17-19-14-5-3-4-6-16(14)23-17;;;;/h4*3-8,10H,1-2H3;;;;
InChIKeyMNNAFUWIZGHYNC-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
(CS)2Ir(μ-Cl)2Ir(CS)2 (CHEBI:51498) has role fluorochrome (CHEBI:51217)
(CS)2Ir(μ-Cl)2Ir(CS)2 (CHEBI:51498) is a iridium coordination entity (CHEBI:52667)
(CS)2Ir(μ-Cl)2Ir(CS)2 (CHEBI:51498) is a organoiridium compound (CHEBI:52647)
IUPAC Name 
tetrakis[3-(1,3-benzothiazol-2-yl-κN)-7-(dimethylamino)-2-oxo-2H-chromen-4-yl-κC4](di-μ-chloro)diiridium
Synonym  Source
tetrakis[3-(1,3-benzothiazol-2-yl-κN)-7-(dimethylamino)-2-oxo-2H-chromen-4-yl-κC4](di-μ-chloro)diiridium(III)ChEBI