50932230
  -OEChem-05082421342D

 32 27  0     0  0  0  0  0  0999 V2000
    0.0000    3.9248    0.0000 Sb  0  0  0  0  0 15  0  0  0  0  0  0
    2.5000    3.9248    0.0000 Sb  0  0  0  0  0 15  0  0  0  0  0  0
    8.1350    0.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369    0.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1350    3.9248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369    4.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1350    7.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369    7.8747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030    0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    4.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030    3.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    7.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030    7.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6675    1.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8705    1.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0044    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8015    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6675    4.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8705    4.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0044    3.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8015    3.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6675    8.3497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8705    8.3497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0044    6.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8015    6.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6720    0.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.6649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6720    4.2348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    4.1148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6720    7.6847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.5647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  9  1  0  0  0  0
  3 27  1  0  0  0  0
  4 10  1  0  0  0  0
  4 28  1  0  0  0  0
  5 11  1  0  0  0  0
  5 29  1  0  0  0  0
  6 12  1  0  0  0  0
  6 30  1  0  0  0  0
  7 13  1  0  0  0  0
  7 31  1  0  0  0  0
  8 14  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
50932230

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBgOAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAAAACggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3C2H6O2.2Sb/c3*3-1-2-4;;/h3*3-4H,1-2H2;;

> <PUBCHEM_IUPAC_INCHIKEY>
OLPUZKZHQFQKKK-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
429.91836

> <PUBCHEM_MOLECULAR_FORMULA>
C6H18O6Sb2

> <PUBCHEM_MOLECULAR_WEIGHT>
429.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(CO)O.C(CO)O.C(CO)O.[Sb].[Sb]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(CO)O.C(CO)O.C(CO)O.[Sb].[Sb]

> <PUBCHEM_CACTVS_TPSA>
121

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
427.91796

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
5

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$