Marvin  05210914222D          

 17 18  0  0  0  0            999 V2000
    0.0414    0.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7560    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6731    0.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    1.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7560   -0.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4740    0.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6731   -0.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877    0.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6731    1.8952    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4740   -0.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1852    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877   -0.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1023    0.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1852   -0.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1023   -0.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9032   -0.9977    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8203   -0.9942    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
> <ID>
CHEBI:27454

> <NAME>
1-chloro-2,2-bis(4'-chlorophenyl)ethylene

> <DEFINITION>
A chlorophenylethylene that is chloroethene in which the methylene hydrogens are replaced by 4-chlorophenyl groups.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:619; CHEBI:19035

> <SYNONYM>
DDMU; 4,4'-DDMU; 2,2-Bis(p-chlorophenyl)-1-chloroethylene; 2,2-Bis(4-chlorophenyl)-1-chloroethylene; 1-Chloro-2,2-bis(p-chlorophenyl)ethylene; 1-Chloro-2,2-bis(4'-chlorophenyl)ethylene; 1-Chloro-2,2-bis(4'-chlorophenyl)ethylene; 1,1-Bis(p-chlorophenyl)-2-chloroethylene; 1,1-Bis(p-chlorophenyl)-2-chloroethene; 1,1-bis(4-chlorophenyl)-2-chloroethylene

> <FORMULA>
C14H9Cl3

> <MASS>
283.58000

> <MONOISOTOPIC_MASS>
281.97698

> <CHARGE>
0

> <SMILES>
ClC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

> <INCHI>
InChI=1S/C14H9Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-9H

> <INCHIKEY>
LNKQQZFLNUVWQQ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1461623

> <CAS_REGISTRY_NUMBER>
1022-22-6

> <REAXYS_REGISTRY_NUMBER>
1461623

> <CHEMIDPLUS>
1022-22-6

> <KEGG_COMPOUND_ACCESSION>
C06637

> <PUBMED_CITATION>
21792584; 23146667

$$$$