31373
  -OEChem-08130916302D

  6  5  0     0  0  0  0  0  0999 V2000
    2.0000    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
31373

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
55.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAAAAHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAIAAAAAAAIAAIAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,2,2-tetrachloroethylene

> <PUBCHEM_IUPAC_CAS_NAME>
1,1,2,2-tetrachloroethylene

> <PUBCHEM_IUPAC_NAME>
1,1,2,2-tetrachloroethene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,2,2-tetrachloroethene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,2,2-tetrachloroethylene

> <PUBCHEM_NIST_INCHI>
InChI=1S/C2Cl4/c3-1(4)2(5)6

> <PUBCHEM_NIST_INCHIKEY>
CYTYCFOTNPOANT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.4

> <PUBCHEM_EXACT_MASS>
165.872461

> <PUBCHEM_MOLECULAR_FORMULA>
C2Cl4

> <PUBCHEM_MOLECULAR_WEIGHT>
165.8334

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(=C(Cl)Cl)(Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(=C(Cl)Cl)(Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
163.875411

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_SUBSTANCE_ID>
24863125

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
371696_ALDRICH

> <PUBCHEM_SUBSTANCE_SYNONYM>
371696_ALDRICH
PCE
Perchloroethylene
Tetrachloroethylene

> <PUBCHEM_XREF_EXT_ID>
371696_ALDRICH

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/371696?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_CID_ASSOCIATIONS>
31373  1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$