CHEBI:52654 - 6-carboxy-4',5'-dichloro-2',7'-dimethoxyfluorescein

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-carboxy-4',5'-dichloro-2',7'-dimethoxyfluorescein
ChEBI ID CHEBI:52654
Definition A fluorescein compound having chloro substituents in the 4'- and 5'-positions, methoxy substituents in the 2'- and 7'-positions and a carboxy substituent at the 6-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H14Cl2O9
Net Charge 0
Average Mass 505.25800
Monoisotopic Mass 504.00149
InChI InChI=1S/C23H14Cl2O9/c1-31-13-6-11-19(15(24)17(13)26)33-20-12(7-14(32-2)18(27)16(20)25)23(11)10-5-8(21(28)29)3-4-9(10)22(30)34-23/h3-7,26-27H,1-2H3,(H,28,29)
InChIKey IDLISIVVYLGCKO-UHFFFAOYSA-N
SMILES COc1cc2c(Oc3c(Cl)c(O)c(OC)cc3C22OC(=O)c3ccc(cc23)C(O)=O)c(Cl)c1O
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6-carboxy-4',5'-dichloro-2',7'-dimethoxyfluorescein (CHEBI:52654) has functional parent fluorescein (lactone form) (CHEBI:31624)
6-carboxy-4',5'-dichloro-2',7'-dimethoxyfluorescein (CHEBI:52654) has role fluorochrome (CHEBI:51217)
6-carboxy-4',5'-dichloro-2',7'-dimethoxyfluorescein (CHEBI:52654) is a xanthenes (CHEBI:38835)
IUPAC Name
4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid
Synonym Source
6-JOE ChEBI
Last Modified
30 June 2009