-OEChem-10311114422D

  9  9  0     0  0  0  0  0  0999 V2000
    1.0705    0.8236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3560    1.6471    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3560   -1.6471    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3585    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3560    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3560   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3585   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24862633

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
36627_RIEDEL

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,2,4-Trichlorobenzene
36627_RIEDEL

> <PUBCHEM_XREF_EXT_ID>
36627_RIEDEL

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/RIEDEL/36627?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_CID_ASSOCIATIONS>
13  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$