-OEChem-03261011582D

 21 23  0     0  0  0  0  0  0999 V2000
    6.3273   -5.2610    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -4.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -4.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -5.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8958   -5.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6140   -6.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3273   -6.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6140   -7.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9036   -6.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380   -6.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3273   -7.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9036   -7.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903   -6.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380   -7.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903   -7.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -4.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2465   -4.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5774   -5.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5889   -3.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9193   -4.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233   -4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24890494

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
A1028_SIAL

> <PUBCHEM_SUBSTANCE_SYNONYM>
8-Anilino-1-naphthalenesulfonic acid
A1028_SIAL
ANS
ANSA
N-Phenyl peri acid

> <PUBCHEM_XREF_EXT_ID>
A1028_SIAL

> <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/SIAL/A1028?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
1369  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$