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CHEBI:90122 - 5-CM-H2DCFDA

ChEBI IDCHEBI:90122
ChEBI Name5-CM-H2DCFDA
Stars
ASCII Name5-CM-H2DCFDA
DefinitionA member of the class of xanthenes that is the acetic anhydride of dihydrofluorescein diacetate carrying additional chloro substituents at positions 2 and 7 as well as a chloromethyl substituent meta to the anhydride function.
Last Modified28 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC27H19Cl3O8
Net Charge0
Average Mass577.800
Monoisotopic Mass576.01455
SMILESCC(=O)OC(=O)c1cc(CCl)ccc1C1c2cc(Cl)c(OC(C)=O)cc2Oc2cc(OC(C)=O)c(Cl)cc21
InChIInChI=1S/C27H19Cl3O8/c1-12(31)35-24-9-22-18(7-20(24)29)26(19-8-21(30)25(36-13(2)32)10-23(19)38-22)16-5-4-15(11-28)6-17(16)27(34)37-14(3)33/h4-10,26H,11H2,1-3H3
InChIKeyMGBKFIKRHPXEGN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-CM-H2DCFDA (CHEBI:90122) has functional parent fluorescein (lactone form) (CHEBI:31624)
5-CM-H2DCFDA (CHEBI:90122) is a acetate ester (CHEBI:47622)
5-CM-H2DCFDA (CHEBI:90122) is a acyclic carboxylic anhydride (CHEBI:36631)
5-CM-H2DCFDA (CHEBI:90122) is a organochlorine compound (CHEBI:36683)
5-CM-H2DCFDA (CHEBI:90122) is a xanthenes (CHEBI:38835)
Incoming Relation(s)
5(6)-CM-H2DCFDA (CHEBI:90121) has part 5-CM-H2DCFDA (CHEBI:90122)
IUPAC Name 
acetic 2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]-5-(chloromethyl)benzoic anhydride
Synonym  Source
5-chloromethyl-2',7'-dichlorodihydrofluorescein diacetate, acetyl esterChEBI