25737
  -OEChem-05231322072D

 14 13  0     1  0  0  0  0  0999 V2000
    3.7320    1.1830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8170    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.5490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1830    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4682    0.6080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -1.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -1.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25737

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
70.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgAAAHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAIAAAAACAOAAMACAAAAAAAAAAAAAAAAAAAAAAAAAEAAAgAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2,3,3-tetrachlorobutane

> <PUBCHEM_IUPAC_CAS_NAME>
1,2,3,3-tetrachlorobutane

> <PUBCHEM_IUPAC_NAME>
1,2,3,3-tetrachlorobutane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,3,3-tetrakis(chloranyl)butane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2,3,3-tetrachlorobutane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H6Cl4/c1-4(7,8)3(6)2-5/h3H,2H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
NGAAIHKWQFLRDY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
195.919411

> <PUBCHEM_MOLECULAR_FORMULA>
C4H6Cl4

> <PUBCHEM_MOLECULAR_WEIGHT>
195.90244

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C(CCl)Cl)(Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C(CCl)Cl)(Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
193.922361

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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

> <PUBCHEM_BONDANNOTATIONS>
5  9  3

$$$$