17 18  0  0  0  0  0  0  0  0999 V2000
   15.0500  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0500  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2624  -18.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4749  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4749  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2624  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7124  -15.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9249  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9249  -17.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1373  -18.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3497  -17.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3497  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1373  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8376  -18.4100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8376  -15.6100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   23.5473  -15.6185    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   23.5474  -18.4014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  5  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
  8 13  1  0     0  0
  2 14  1  0     0  0
  1 15  1  0     0  0
 12 16  1  0     0  0
 11 17  1  0     0  0
M  END
> <ID>
CHEBI:82316

> <NAME>
3,3'-Dichloro-4,4'-diaminodiphenyl ether

> <STAR>
2

> <FORMULA>
C12H10Cl2N2O

> <MASS>
269.12700

> <MONOISOTOPIC_MASS>
268.01702

> <CHARGE>
0

> <SMILES>
Nc1ccc(Oc2ccc(N)c(Cl)c2)cc1Cl

> <INCHI>
InChI=1S/C12H10Cl2N2O/c13-9-5-7(1-3-11(9)15)17-8-2-4-12(16)10(14)6-8/h1-6H,15-16H2

> <INCHIKEY>
IVVWBIJMWBNKFV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
28434-86-8

> <KEGG_COMPOUND_ACCESSION>
C19226

$$$$