Marvin  06040718552D          

 12 11  0  0  0  0            999 V2000
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 11  2  2  0  0  0  0
  7 11  1  0  0  0  0
  9  7  2  0  0  0  0
  3  9  1  0  0  0  0
  6  3  2  0  0  0  0
  4  3  1  0  0  0  0
  8  1  2  0  0  0  0
  5  1  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  CHG  2   4  -1   5  -1
M  END
> <ID>
CHEBI:11438

> <NAME>
2,4-dichloro-cis,cis-muconate(2-)

> <STAR>
3

> <SYNONYM>
(2E,4E)-2,4-dichloromuconate

> <IUPAC_NAME>
(2E,4E)-2,4-dichlorohexa-2,4-dienedioate

> <FORMULA>
C6H2Cl2O4

> <MASS>
208.98308

> <MONOISOTOPIC_MASS>
207.93411

> <CHARGE>
-2

> <SMILES>
[O-]C(=O)\C=C(Cl)/C=C(/Cl)C([O-])=O

> <INCHI>
InChI=1S/C6H4Cl2O4/c7-3(2-5(9)10)1-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)/p-2/b3-2+,4-1+

> <INCHIKEY>
FHXOPKKNGKBBKG-DXLKSGPOSA-L

$$$$