Ketcher 03171822492D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
   11.2417   -2.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3756   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1078   -0.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9737   -0.3469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417   -0.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2418    0.6531    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3756   -1.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5097   -2.3468    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1078   -1.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9736   -2.3471    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  9  2  0     0  0
  3  5  1  0     0  0
  9  1  1  0     0  0
  1  7  2  0     0  0
  7  2  1  0     0  0
  2  5  2  0     0  0
  3  4  1  0     0  0
  5  6  1  0     0  0
  7  8  1  0     0  0
  9 10  1  0     0  0
M  CHG  1   4  -1
M  END
> <ID>
CHEBI:140426

> <NAME>
2,4,6-trichlorophenolate

> <DEFINITION>
A phenolate anion resulting from the deprotonation of the phenolic hydroxy group of 2,4,6-trichlorophenol.

> <STAR>
3

> <SYNONYM>
2,4,6-trichlorophenol

> <IUPAC_NAME>
2,4,6-trichlorophenolate

> <FORMULA>
C6H2Cl3O

> <MASS>
196.439

> <MONOISOTOPIC_MASS>
194.91767

> <CHARGE>
-1

> <SMILES>
C=1C(=C(C(=CC1Cl)Cl)[O-])Cl

> <INCHI>
InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H/p-1

> <INCHIKEY>
LINPIYWFGCPVIE-UHFFFAOYSA-M

> <METACYC_ACCESSION>
TRICHLOROPHENOL

> <PUBMED_CITATION>
8680829

$$$$