8  6  0  0  0  0  0  0  0  0999 V2000
   16.1924  -14.3500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.4049  -15.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6173  -14.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8318  -15.0512    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.6173  -12.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4049  -16.4498    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.1924  -15.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   21.7700  -14.9100    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  3  5  2  0     0  0
  2  6  1  0     0  0
  2  7  1  0     0  0
M  CHG  2   4  -1   8   1
M  END
> <ID>
CHEBI:81976

> <NAME>
TCA-sodium

> <STAR>
2

> <SYNONYM>
Trichloroacetic acid sodium

> <FORMULA>
C2Cl3NaO2

> <MASS>
185.36900

> <MONOISOTOPIC_MASS>
183.88616

> <CHARGE>
0

> <SMILES>
[Na+].[O-]C(=O)C(Cl)(Cl)Cl

> <INCHI>
InChI=1S/C2HCl3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1

> <INCHIKEY>
SAQSTQBVENFSKT-UHFFFAOYSA-M

> <CAS_REGISTRY_NUMBER>
650-51-1

> <KEGG_COMPOUND_ACCESSION>
C18808

$$$$