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CHEBI:60609 - rhodamine B 6-isothiocyanate

ChEBI IDCHEBI:60609
ChEBI Namerhodamine B 6-isothiocyanate
Stars
DefinitionThe 6-isomer of rhodamine B isothiocyanate.
Last Modified9 November 2010
SubmitterSteve
DownloadsMolfile
FormulaC29H30N3O3S
Net Charge+1
Average Mass500.644
Monoisotopic Mass500.20024
SMILESCCN(CC)c1ccc2c(-c3cc(N=C=S)ccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1
InChIInChI=1S/C29H29N3O3S/c1-5-31(6-2)20-10-13-23-26(16-20)35-27-17-21(32(7-3)8-4)11-14-24(27)28(23)25-15-19(30-18-36)9-12-22(25)29(33)34/h9-17H,5-8H2,1-4H3/p+1
InChIKeyAVJBELCJSGWQNV-UHFFFAOYSA-O
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
dye 
ChEBI Ontology
Outgoing Relation(s)
rhodamine B 6-isothiocyanate (CHEBI:60609) has role fluorochrome (CHEBI:51217)
rhodamine B 6-isothiocyanate (CHEBI:60609) is a rhodamine B isothiocyanate (CHEBI:60604)
IUPAC Name 
N-[9-(2-carboxy-5-isothiocyanatophenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium chloride
Synonyms  Source
rhodamine B isothiocyanate 6-isomerChEBI
RITCChEBI
Citations