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CHEBI:52652 - 6-carboxyrhodamine 6G

ChEBI IDCHEBI:52652
ChEBI Name6-carboxyrhodamine 6G
Stars
DefinitionA rhodamine 6G compound having a carboxy substituent in the 6-position.
Last Modified2 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC29H31N2O5.Cl
Net Charge0
Average Mass523.029
Monoisotopic Mass522.19215
SMILESCCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3cc(C(=O)O)ccc3C(=O)OCC)c2cc1C.[Cl-]
InChIInChI=1S/C29H30N2O5.ClH/c1-6-30-23-14-25-21(11-16(23)4)27(22-12-17(5)24(31-7-2)15-26(22)36-25)20-13-18(28(32)33)9-10-19(20)29(34)35-8-3;/h9-15,30-31H,6-8H2,1-5H3;1H
InChIKeyVWOLRKMFAJUZGM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
6-carboxyrhodamine 6G (CHEBI:52652) has functional parent rhodamine 6G (CHEBI:52672)
6-carboxyrhodamine 6G (CHEBI:52652) has role fluorochrome (CHEBI:51217)
6-carboxyrhodamine 6G (CHEBI:52652) is a dicarboxylic acid monoester (CHEBI:36244)
6-carboxyrhodamine 6G (CHEBI:52652) is a ethyl ester (CHEBI:23990)
6-carboxyrhodamine 6G (CHEBI:52652) is a organic chloride salt (CHEBI:36094)
6-carboxyrhodamine 6G (CHEBI:52652) is a xanthene dye (CHEBI:37929)
IUPAC Name 
9-[5-carboxy-2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthenium chloride
Synonym  Source
6-CR 6GChEBI