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

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ChEBI Name 5-bromo-4-chloro-3-indolyl octanoate ChEBI ID CHEBI:75498 Definition A carboxylic ester obtained by formal condensation of the carboxy group of octanoic (caprylic) acid with the hydroxy group of 5-bromo-4-chloroindoxyl. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H19BrClNO2 Net Charge 0 Average Mass 372.68500 Monoisotopic Mass 371.02877 InChI InChI=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 InChIKey QTWMXGHFXBQNEJ-UHFFFAOYSA-N SMILES CCCCCCCC(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12 ChEBI Ontology Outgoing 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 Sources 5-bromo-4-chloro-3-indolyl caprylate ChEBI 5-bromo-4-chloroindoxyl caprylate ChEBI 5-bromo-4-chloroindoxyl octanoate ChEBI Last Modified 29 October 2015