Ketcher 12162215132D 1   1.00000     0.00000     0

 14 13  0     0  0            999 V2000
    5.5147   -7.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6506   -6.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6506   -5.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5144   -5.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3785   -5.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3786   -6.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2424   -7.0449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2425   -8.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557   -5.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1146   -5.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2556   -4.0522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5143   -4.0367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5147   -8.0427    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2429   -5.4928    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  5  9  1  0     0  0
  9 10  1  0     0  0
  9 11  2  0     0  0
  4 12  1  0     0  0
  1 13  1  0     0  0
M  CHG  2  10  -1  14   1
M  END
> <ID>
CHEBI:194159

> <NAME>
dicamba-potassium

> <DEFINITION>
An organic potassium salt of dicamba.

> <STAR>
3

> <SYNONYM>
potassium dicamba; potassium 3,6-dichloro-o-anisate; potassium 2-methoxy-3,6-dichlorobenzoate; dicamba potassium salt; dicamba potassium; 2-methoxy-3,6-dichlorobenzoic acid potassium salt

> <IUPAC_NAME>
potassium 3,6-dichloro-2-methoxybenzoate

> <FORMULA>
C8H5Cl2O3.K

> <MASS>
259.120

> <MONOISOTOPIC_MASS>
257.92528

> <CHARGE>
0

> <SMILES>
[K+].COC1=C(C([O-])=O)C(Cl)=CC=C1Cl

> <INCHI>
InChI=1S/C8H6Cl2O3.K/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);/q;+1/p-1

> <INCHIKEY>
RVJMEWSAFHIEJX-UHFFFAOYSA-M

> <CAS_REGISTRY_NUMBER>
10007-85-9

> <PESTICIDES_ACCESSION>
derivatives/dicamba-potassium

$$$$