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CHEBI:72811 - dimethylindole red

ChEBI IDCHEBI:72811
ChEBI Namedimethylindole red
Stars
DefinitionA fluorogenic cyanine dye in which N-(3-sulfopropyl)quinolinium is linked to a 1,3,3-trimethyldihydroindole via a propan-1-yl-3-ylidene chain to form a conjugated system.
Last Modified20 March 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H28N2O3S
Net Charge0
Average Mass448.588
Monoisotopic Mass448.18206
SMILESCN1/C(=C/C=C/c2cc[n+](CCCS(=O)(=O)[O-])c3ccccc23)C(C)(C)c2ccccc21
InChIInChI=1S/C26H28N2O3S/c1-26(2)22-12-5-7-14-24(22)27(3)25(26)15-8-10-20-16-18-28(17-9-19-32(29,30)31)23-13-6-4-11-21(20)23/h4-8,10-16,18H,9,17,19H2,1-3H3
InChIKeyNTABMUJQZABQGD-UHFFFAOYSA-N
Roles Classification
Applications:
dye 
ChEBI Ontology
Outgoing Relation(s)
dimethylindole red (CHEBI:72811) has role fluorescent dye (CHEBI:51121)
dimethylindole red (CHEBI:72811) is a cyanine dye (CHEBI:37960)
dimethylindole red (CHEBI:72811) is a quaternary ammonium salt (CHEBI:35273)
dimethylindole red (CHEBI:72811) is a zwitterion (CHEBI:27369)
IUPAC Name 
3-{4-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]quinolinium-1-yl}propane-1-sulfonate
Synonyms  Source
1-(3-sulfopropyl)-4-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]quinoliniumPDBeChem
DIRChEBI
Manual XrefsDatabases
DIWPDBeChem
Registry NumbersSources
Reaxys:18882060Reaxys
Citations