Marvin  10020610422D          

 12 12  0  0  0  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <ID>
CHEBI:17042

> <NAME>
tetrachlorohydroquinone

> <DEFINITION>
A tetrachlorobenzene that is 1,2,4,5-tetrachlorobenzene in which the hydrogens at positions 3 and 6 are replaced by hydroxy groups.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:9472; CHEBI:15217; CHEBI:26891

> <SYNONYM>
Tetrachlorohydroquinone; tetrachloro-p-benzohydroquinone; TeCH; dihydro-p-chloranil; 2,3,5,6-Tetrachlorohydroquinone; 2,3,5,6-tetrachloro-1,4-benzenediol

> <IUPAC_NAME>
2,3,5,6-tetrachlorobenzene-1,4-diol

> <FORMULA>
C6H2Cl4O2

> <MASS>
247.88968

> <MONOISOTOPIC_MASS>
245.88089

> <CHARGE>
0

> <SMILES>
Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl

> <INCHI>
InChI=1S/C6H2Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H

> <INCHIKEY>
STOSPPMGXZPHKP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1876374

> <CAS_REGISTRY_NUMBER>
87-87-6

> <GMELIN_REGISTRY_NUMBER>
279912

> <CHEMIDPLUS>
87-87-6

> <KEGG_COMPOUND_ACCESSION>
C03434

> <KNAPSACK_ACCESSION>
C00007485

> <NIST_CHEMISTRY_WEBBOOK>
87-87-6

$$$$