-OEChem-11021115562D

  8  8  0     0  0  0  0  0  0999 V2000
  -16.0000    3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.0000   45.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0000   44.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   35.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0000  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10390309

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST

> <PUBCHEM_EXT_DATASOURCE_REGID>
783709003

> <PUBCHEM_SUBSTANCE_SYNONYM>
.alpha.-Thiophenecarboxylic acid
2-Thiophenecarboxylic acid

> <PUBCHEM_XREF_EXT_ID>
783709003

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nist.gov/srd/nist1a.htm

> <PUBCHEM_CID_ASSOCIATIONS>
10700  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$