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CHEBI:52272 - squarylium dye III

ChEBI IDCHEBI:52272
ChEBI Namesquarylium dye III
Stars
DefinitionA squaraine dye having two 4-dimethylaminophenyl substituents attached to the cyclobutane ring.
Last Modified6 July 2010
SubmitterInma Spiteri
DownloadsMolfile
FormulaC20H20N2O2
Net Charge0
Average Mass320.392
Monoisotopic Mass320.15248
SMILESCN(C)c1ccc(C2=C([O-])C(=C3C=CC(=[N+](C)C)C=C3)C2=O)cc1
InChIInChI=1S/C20H20N2O2/c1-21(2)15-9-5-13(6-10-15)17-19(23)18(20(17)24)14-7-11-16(12-8-14)22(3)4/h5-12H,1-4H3
InChIKeyHERJDZWHZQOZLU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:
squaraine dye  An organic dye characterized by an aromatic four-membered ring system derived from squaric acid.
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
squarylium dye III (CHEBI:52272) has role fluorochrome (CHEBI:51217)
squarylium dye III (CHEBI:52272) has role squaraine dye (CHEBI:52271)
squarylium dye III (CHEBI:52272) is a dimethylaniline (CHEBI:23806)
squarylium dye III (CHEBI:52272) is a squaraine (CHEBI:59717)
IUPAC Name 
2-[4-(dimethylamino)phenyl]-4-[4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]-3-oxocyclobut-1-en-1-olate
Registry NumbersSources
Beilstein:3628357Beilstein