Marvin  10020610392D          

 12 12  0  0  0  0            999 V2000
   -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
    0.7145   -0.4125    0.0000 C   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
    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
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  7  8  2  0  0  0  0
 12  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
  2  8  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
> <ID>
CHEBI:26889

> <NAME>
tetrachlorocatechol

> <DEFINITION>
A chlorocatechol that is catechol in which all of the hydrogens attached to the benzene ring are replaced by chlorines.

> <STAR>
3

> <SYNONYM>
tetrachloropyrocatechol; tetrachlorocatechol; tetrachloro-1,2-benzenediol; Tetrachloro-1,2-benzenediol; 3,4,5,6-tetrachlorocatechol

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

> <FORMULA>
C6H2Cl4O2

> <MASS>
247.88968

> <MONOISOTOPIC_MASS>
245.88089

> <CHARGE>
0

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

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

> <INCHIKEY>
RRBMVWQICIXSEO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1876366

> <CAS_REGISTRY_NUMBER>
1198-55-6

> <GMELIN_REGISTRY_NUMBER>
3937

> <CHEMIDPLUS>
1198-55-6

> <KEGG_COMPOUND_ACCESSION>
C18240

$$$$