Marvin  10020611382D          

 12 12  0  0  0  0            999 V2000
    0.0000   -1.6500    0.0000 O   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
    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
    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <ID>
CHEBI:36703

> <NAME>
tetrachloro-1,4-benzoquinone

> <DEFINITION>
A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines.

> <STAR>
3

> <SYNONYM>
tetrachloroparabenzoquinone; tetrachlorobenzoquinone; tetrachloro-p-benzoquinone; tetrachloro-1,4-benzoquinone; p-Chloranil; chloranil; alpha-chloranil; 2,3,5,6-tetrachlorobenzo-1,4-quinone; 2,3,5,6-tetrachloro-p-benzoquinone; 2,3,5,6-tetrachloro-2,5-cyclohexadiene-1,4-dione; 2,3,5,6-tetrachloro-1,4-benzoquinone; 2,3,5,6-Tetrachloro-1,4-benzoquinone; 2,3,5,6-tetrachloro-1,4-benzoquinone; 2,3,5,6-Tetrachlor-1,4-benzochinon

> <IUPAC_NAME>
2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione

> <FORMULA>
C6Cl4O2

> <MASS>
245.87380

> <MONOISOTOPIC_MASS>
243.86524

> <CHARGE>
0

> <SMILES>
ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O

> <INCHI>
InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11

> <INCHIKEY>
UGNWTBMOAKPKBL-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
393006

> <CAS_REGISTRY_NUMBER>
118-75-2

> <GMELIN_REGISTRY_NUMBER>
50924

> <CHEMIDPLUS>
118-75-2

> <KEGG_COMPOUND_ACCESSION>
C18933

> <NIST_CHEMISTRY_WEBBOOK>
118-75-2

> <PUBMED_CITATION>
11864786; 19408893; 20797618

$$$$