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CHEBI:75498 - 5-bromo-4-chloro-3-indolyl octanoate

ChEBI IDCHEBI:75498
ChEBI Name5-bromo-4-chloro-3-indolyl octanoate
Stars
DefinitionA carboxylic ester obtained by formal condensation of the carboxy group of octanoic (caprylic) acid with the hydroxy group of 5-bromo-4-chloroindoxyl.
Last Modified29 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC16H19BrClNO2
Net Charge0
Average Mass372.690
Monoisotopic Mass371.02877
SMILESCCCCCCCC(=O)Oc1cnc2ccc(Br)c(Cl)c12
InChIInChI=1S/C16H19BrClNO2/c1-2-3-4-5-6-7-14(20)21-13-10-19-12-9-8-11(17)16(18)15(12)13/h8-10,19H,2-7H2,1H3
InChIKeyQTWMXGHFXBQNEJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-bromo-4-chloro-3-indolyl octanoate (CHEBI:75498) has functional parent indoxyl (CHEBI:17840)
5-bromo-4-chloro-3-indolyl octanoate (CHEBI:75498) is a bromoindole (CHEBI:52514)
5-bromo-4-chloro-3-indolyl octanoate (CHEBI:75498) is a chloroindole (CHEBI:52508)
5-bromo-4-chloro-3-indolyl octanoate (CHEBI:75498) is a octanoate ester (CHEBI:87657)
IUPAC Name 
5-bromo-4-chloro-1H-indol-3-yl octanoate
Synonyms  Source
5-bromo-4-chloro-3-indolyl caprylateChEBI
5-bromo-4-chloroindoxyl octanoateChEBI
5-bromo-4-chloroindoxyl caprylateChEBI