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CHEBI:52653 - 6-carboxy-2',4,4',5'7,7'-hexachlorofluorescein succinimidyl ester

ChEBI IDCHEBI:52653
ChEBI Name6-carboxy-2',4,4',5'7,7'-hexachlorofluorescein succinimidyl ester
Stars
DefinitionA fluorescein compound having chlorine substituents in the 2'-, 4-, 4'-, 5'-, 7- and 7'-positions and a succinimidyloxycarbonyl substituent at the 6-position.
Last Modified30 June 2009
SubmitterSteve
DownloadsMolfile
FormulaC25H9Cl6NO9
Net Charge0
Average Mass680.063
Monoisotopic Mass676.84085
SMILESO=C(ON1C(=O)CCC1=O)c1cc(Cl)c2c(c1Cl)C1(OC2=O)c2cc(Cl)c(O)c(Cl)c2Oc2c1cc(Cl)c(O)c2Cl
InChIInChI=1S/C25H9Cl6NO9/c26-9-3-6(23(37)41-32-12(33)1-2-13(32)34)16(29)15-14(9)24(38)40-25(15)7-4-10(27)19(35)17(30)21(7)39-22-8(25)5-11(28)20(36)18(22)31/h3-5,35-36H,1-2H2
InChIKeyKBCLKGGWJLQAIU-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
6-carboxy-2',4,4',5'7,7'-hexachlorofluorescein succinimidyl ester (CHEBI:52653) has functional parent fluorescein (lactone form) (CHEBI:31624)
6-carboxy-2',4,4',5'7,7'-hexachlorofluorescein succinimidyl ester (CHEBI:52653) has role fluorochrome (CHEBI:51217)
6-carboxy-2',4,4',5'7,7'-hexachlorofluorescein succinimidyl ester (CHEBI:52653) is a xanthenes (CHEBI:38835)
IUPAC Name 
1-{[(2',4,4',5',7,7'-hexachloro-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl)carbonyl]oxy}pyrrolidine-2,5-dione
Synonyms  Source
6-HEX SEChEBI
5(6)-carboxy-2',4,4',5'7,7'-hexachlorofluorescein succinimidyl esterChEBI