-OEChem-03261011592D

 16 17  0     0  0  0  0  0  0999 V2000
   -0.9545    2.1383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9544    2.1383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8718   -0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719   -0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8718   -1.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719   -1.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8594    0.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8595    0.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8594   -2.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8595   -2.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430   -0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8430   -0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430   -1.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8430   -1.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24893604

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
D204307_ALDRICH

> <PUBCHEM_SUBSTANCE_SYNONYM>
D204307_ALDRICH
Diphenylacetic acid

> <PUBCHEM_XREF_EXT_ID>
D204307_ALDRICH

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/D204307?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
8333  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$