Mrv0541 10221414452D          

 20 22  0  0  0  0            999 V2000
    0.1111    0.8930    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    0.1111    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0186    0.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7139    0.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1111    0.0680    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8256    2.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8256    2.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1111    3.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034    2.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034    2.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4311    0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2561    0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6685    0.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2561    1.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4311    1.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1263    1.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9514    1.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3639    0.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9514    0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1263    0.1786    0.0000 C   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  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2 10  1  0  0  0  0
  3 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  3 15  1  0  0  0  0
  4 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
  4 20  1  0  0  0  0
M  END
> <ID>
CHEBI:35036

> <NAME>
fentin chloride

> <DEFINITION>
An organotin compound that is triphenylstannane in which the hydrogen attached to tin is replaced by a chloro group.  A fungicide used to control blights on potatoes, leaf spot diseases on sugar beet and anthracnose on beans.

> <STAR>
3

> <SYNONYM>
Triphenyltin chloride; Triphenyltin chloride; triphenylstannylium chloride; Triphenylchlorotin; Triphenylchlorostannane; TPTC; Chlorotriphenyltin; Chlorotriphenylstannane

> <FORMULA>
C18H15ClSn

> <MASS>
385.47000

> <MONOISOTOPIC_MASS>
385.98843

> <CHARGE>
0

> <SMILES>
Cl[Sn](c1ccccc1)(c1ccccc1)c1ccccc1

> <INCHI>
InChI=1S/3C6H5.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1

> <INCHIKEY>
NJVOZLGKTAPUTQ-UHFFFAOYSA-M

> <CAS_REGISTRY_NUMBER>
639-58-7

> <REAXYS_REGISTRY_NUMBER>
524762

> <CHEMIDPLUS>
639-58-7

> <KEGG_COMPOUND_ACCESSION>
C14413

> <LINCS_ACCESSION>
LSM-37196

> <NIST_CHEMISTRY_WEBBOOK>
639-58-7

> <PUBMED_CITATION>
1280083; 1677872; 19882143; 20591183; 20708649; 2084225; 22002760; 23128992; 23981671; 25045140; 7679203

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