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CHEBI:52933 - tetramethylrhodamine thiocyanate cation

ChEBI IDCHEBI:52933
ChEBI Nametetramethylrhodamine thiocyanate cation
Stars
DefinitionA cationic fluorescent dye derived from 9-phenylxanthene.
Last Modified6 August 2009
SubmitterSteve
DownloadsMolfile
FormulaC25H22N3O3S
Net Charge+1
Average Mass444.536
Monoisotopic Mass444.13764
SMILESCN(C)c1ccc2c(-c3ccc(SC#N)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1
InChIInChI=1S/C25H21N3O3S/c1-27(2)15-5-8-19-22(11-15)31-23-12-16(28(3)4)6-9-20(23)24(19)18-10-7-17(32-14-26)13-21(18)25(29)30/h5-13H,1-4H3/p+1
InChIKeyQGFYOPKJXZSLRU-UHFFFAOYSA-O
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
tetramethylrhodamine thiocyanate cation (CHEBI:52933) has role fluorochrome (CHEBI:51217)
tetramethylrhodamine thiocyanate cation (CHEBI:52933) is a organic cation (CHEBI:25697)
tetramethylrhodamine thiocyanate cation (CHEBI:52933) is a xanthene dye (CHEBI:37929)
Incoming Relation(s)
tetramethylrhodamine thiocyanate (CHEBI:52336) has part tetramethylrhodamine thiocyanate cation (CHEBI:52933)
IUPAC Name 
9-(2-carboxy-4-thiocyanatophenyl)-3,6-bis(dimethylamino)xanthenium
Synonym  Source
tetramethylrhodamine thiocyanate(1+)ChEBI