KEGG   COMPOUND: C18808Help
Entry
C18808                      Compound                               

Name
TCA-sodium;
Trichloroacetic acid sodium
Formula
C2Cl3O2. Na
Exact mass
183.8862
Mol weight
185.369
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Others
    C18808  TCA-sodium
BRITE hierarchy
Other DBs
CAS: 650-51-1
PubChem: 124489482
ChEBI: 81976
ChEMBL: CHEMBL2028283
KCF data Show

ATOM        8
            1   X   Cl   16.1924  -14.3500
            2   C1d C    17.4049  -15.0500
            3   C6a C    18.6173  -14.3500
            4   O6a O    19.8318  -15.0512 #-
            5   O6a O    18.6173  -12.9500
            6   X   Cl   17.4049  -16.4498
            7   X   Cl   16.1924  -15.7500
            8   Z   Na   21.7700  -14.9100 #+
BOND        6
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 2
            5     2   6 1
            6     2   7 1

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