Molecule ID: 92136194

IUPAC Name: 2,6-dichloro-4-hexanoyl-3,5-dihydroxyphenolate

Description: The molecule is 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. It is a conjugate base of a (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one.

SMILES: CCCCCC(=O)c1c([O-])c(Cl)c(O)c(Cl)c1O

SELFIES: [C][C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O-1][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][#Branch2][O]

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

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 4.9