-OEChem-10201113252D

  8  8  0     0  0  0  0  0  0999 V2000
    1.3300   -1.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9900   -1.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9950    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9950   -2.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -2.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3201   -1.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
48425581

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
EPA DSSTox

> <PUBCHEM_EXT_DATASOURCE_REGID>
33944

> <PUBCHEM_SUBSTANCE_COMMENT>
Substance included in EPA DSSTox NTPHTS: National Toxicology Program (NTP) High Throughput Screening Project Structure-Index File <a href="http://www.epa.gov/ncct/dsstox/sdf_ntphts.html"target="_blank">[link to DSSTox SDF Download Page]</a>
Structure Shown: tested chemical
For further information visit the National Institute of Environmental Health Sciences (NIEHS) NTP High Throughput Screening Initiative <a href="http://ntp.niehs.nih.gov/index.cfm?objectid=05F80E15-F1F6-975E-77DDEDBDF3B941CD"target="_blank">Website</a>

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,4-dimethylbenzene
106-42-3
p-Xylene

> <PUBCHEM_GENERIC_REGISTRY_NAME>
106-42-3

> <PUBCHEM_XREF_EXT_ID>
33944

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.epa.gov/ncct/dsstox/sdf_ntphts.html

> <PUBCHEM_CID_ASSOCIATIONS>
7809  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$