ChEBI


 20 21  0  0  0  0  0  0  0  0  1 V2000
   10.8624   -8.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8624  -10.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7105   -8.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7105  -10.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5587   -8.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5587  -10.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0143   -6.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0143   -8.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8624   -6.1612    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.1662   -8.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1662  -10.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4699   -8.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4699  -10.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3180   -8.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3180  -10.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1661   -6.1612    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.6217  -10.8163    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4069  -10.8162    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.3180  -12.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0144  -10.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  9  7  1  0  0  0  0
  8 10  1  0  0  0  0
  1  8  1  0  0  0  0
  2  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 13  2  0  0  0  0
 11 15  1  0  0  0  0
 11 10  2  0  0  0  0
 10 14  1  0  0  0  0
  7 16  1  0  0  0  0
  8  7  2  0  0  0  0
 17 13  1  0  0  0  0
 18  6  1  0  0  0  0
 19 15  1  0  0  0  0
 20 11  1  0  0  0  0
M  END
> <ID>
CHEBI:28959

> <NAME>
1,1-dichloro-2-(4-chloro-2,3-dihydroxyphenyl)-2-(4-chlorophenyl)ethylene

> <STAR>
3

> <SECONDARY_ID>
CHEBI:475; CHEBI:18852

> <SYNONYM>
1,1-Dichloro-2-(dihydroxy-4'-chlorophenyl)-2-(4'-chlorophenyl)ethylene

> <IUPAC_NAME>
3-chloro-6-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene-1,2-diol

> <FORMULA>
C14H8Cl4O2

> <MASS>
350.02292

> <MONOISOTOPIC_MASS>
347.92784

> <CHARGE>
0

> <SMILES>
Oc1c(Cl)ccc(c1O)C(=C(Cl)Cl)c1ccc(Cl)cc1

> <INCHI>
InChI=1S/C14H8Cl4O2/c15-8-3-1-7(2-4-8)11(14(17)18)9-5-6-10(16)13(20)12(9)19/h1-6,19-20H

> <INCHIKEY>
FLLUEFJGXSALFO-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C06644

$$$$