-OEChem-03261012002D

 11 11  0     0  0  0  0  0  0999 V2000
   -0.0013    1.2089    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103    2.0227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7921    1.1430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7921    1.4295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013   -2.0227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013    0.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7035    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013   -1.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -0.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7035   -0.8136    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  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24899644

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
S5263_SIGMA

> <PUBCHEM_SUBSTANCE_SYNONYM>
4-Aminobenzenesulfonic acid
Aniline-4-sulfonic acid
S5263_SIGMA
Sulfanilic acid

> <PUBCHEM_XREF_EXT_ID>
S5263_SIGMA

> <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/SIGMA/S5263?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_CID_ASSOCIATIONS>
8479  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

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