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(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_90398

A phenolate anion resulting from removal of the proton from the phenolic hydroxy group of (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one that is para to the hexanoyl group. The major structure at pH 7.3.

Term info

Label

(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one(1-)

Synonyms
  • 2,6-dichloro-4-hexanoyl-3,5-dihydroxyphenolate
database cross reference
Subsets

3_STAR

IUPAC NAME
2,6-dichloro-4-hexanoyl-3,5-dihydroxyphenolate [ IUPAC ]

charge

-1

formula

C12H13Cl2O4

has obo namespace

chebi_ontology

has related synonym

(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one, dichloro-THPH(1-), Cl2-THPH(1-), 3,5-dichloro-THPH(1-)

id

CHEBI:90398

inchi

InChI=1S/C12H14Cl2O4/c1-2-3-4-5-6(15)7-10(16)8(13)12(18)9(14)11(7)17/h16-18H,2-5H2,1H3/p-1

inchikey

WLWLDMLTAFSEDI-UHFFFAOYSA-M

mass

292.136

monoisotopicmass

291.01964

smiles

C(CCCCC)(=O)C1=C(C(=C(C(=C1O)Cl)[O-])Cl)O