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>
75150

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
DTP/NCI

> <PUBCHEM_EXT_DATASOURCE_REGID>
9777

> <PUBCHEM_SUBSTANCE_COMMENT>
DTP/NCI from molfile.  Release-June 2007.
Structure Evaluation:Consistent with Molecular Formula.
Deposition record created from database webdb on host dtpiv1.ncifcrf.gov on Feb 22, 2008

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,1,2,2-Tetrachloroethylene
127-18-4
Ankilostin
Antisal 1
Carbon bichloride
Carbon dichloride
Czterochloroetylen
Didakene
ENT 1,860
Ethene, tetrachloro-
Ethylene tetrachloride
Ethylene, tetrachloro-
Fedal-Un
NCI-C04580
NSC9777
Nema
Nema, veterinary
PERC
PerSec
Perawin
Perchloorethyleen, per
Perchloraethylen, per
Perchlorethylene
Perchlorethylene, per
Perchloroethylene
Perclene
Percloroetilene
Tetlen
Tetracap
Tetrachlooretheen
Tetrachloraethen
Tetrachlorethylene
Tetrachloroethene
Tetrachloroethylene
Tetracloroetene
Tetraguer
Tetraleno
Tetralex
Tetropil
WLN: GYGUYGG

> <PUBCHEM_GENERIC_REGISTRY_NAME>
127-18-4

> <PUBCHEM_XREF_EXT_ID>
9777

> <PUBCHEM_EXT_DATASOURCE_URL>
http://dtp.nci.nih.gov/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://dtp.nci.nih.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9777

> <PUBCHEM_CID_ASSOCIATIONS>
31373  1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$