94429
  -OEChem-05132422272D

 12 11  0     0  0  0  0  0  0999 V2000
    2.0000   -0.4330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.9330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.7990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    0.9330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -0.7990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
94429

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
150

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAMAAHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgIAAAAAAAAAAIAACAAABAAIAAAACAAAAAAAAAAAAAAAAAAQAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(trichloromethyl) carbonate

> <PUBCHEM_IUPAC_CAS_NAME>
carbonic acid bis(trichloromethyl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(trichloromethyl) carbonate

> <PUBCHEM_IUPAC_NAME>
bis(trichloromethyl) carbonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(trichloromethyl) carbonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
carbonic acid bis(trichloromethyl) ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3Cl6O3/c4-2(5,6)11-1(10)12-3(7,8)9

> <PUBCHEM_IUPAC_INCHIKEY>
UCPYLLCMEDAXFR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
295.794910

> <PUBCHEM_MOLECULAR_FORMULA>
C3Cl6O3

> <PUBCHEM_MOLECULAR_WEIGHT>
296.7

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

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

> <PUBCHEM_CACTVS_TPSA>
35.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
293.797860

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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_COORDINATE_TYPE>
1
5
255

$$$$