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CHEBI:60608 - rhodamine B 5-isothiocyanate

ChEBI IDCHEBI:60608
ChEBI Namerhodamine B 5-isothiocyanate
Stars
DefinitionThe 5-isomer of rhodamine B isothiocyanate.
Last Modified9 November 2010
SubmitterSteve
DownloadsMolfile
FormulaC29H30N3O3S.Cl
Net Charge0
Average Mass536.097
Monoisotopic Mass535.16964
SMILESCCN(CC)c1ccc2c(-c3ccc(N=C=S)cc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1.[Cl-]
InChIInChI=1S/C29H29N3O3S.ClH/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)22-12-9-19(30-18-36)15-25(22)29(33)34;/h9-17H,5-8H2,1-4H3;1H
InChIKeyYVSWPCCVTYEEHG-UHFFFAOYSA-N
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 5-isothiocyanate (CHEBI:60608) has role fluorochrome (CHEBI:51217)
rhodamine B 5-isothiocyanate (CHEBI:60608) is a rhodamine B isothiocyanate (CHEBI:60604)
IUPAC Name 
N-[9-(2-carboxy-4-isothiocyanatophenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium chloride
Synonyms  Source
rhodamine B isothiocyanate 5-isomerChEBI
RITCChEBI
Registry NumbersSources
Beilstein:10753432Beilstein
CAS:36877-69-7ChemIDplus
Citations