68705052
  -OEChem-05042422012D

 22 22  0     0  0  0  0  0  0999 V2000
    3.1684    0.5000    0.0000 Si  0  0  0  0  0  1  0  0  0  0  0  0
    1.4363    0.5000    0.0000 Si  0  0  0  0  0  1  0  0  0  0  0  0
    1.4030    2.8472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3024    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1629    3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1629    5.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    4.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    5.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.4672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1558    3.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1558    6.5018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    4.0143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    5.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8 15  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68705052

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
136

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAwAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAACEAADASAmAAwBsAAAgCAAiBCAAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAeAwLAOgAABAAAYAAAAAAIAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8O.OSi2/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1-3/h1-7,11H;

> <PUBCHEM_IUPAC_INCHIKEY>
MRXJHVATKUYMSO-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
216.00628256

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8O2Si2

> <PUBCHEM_MOLECULAR_WEIGHT>
216.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC=C2O.O([Si])[Si]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=CC=C2O.O([Si])[Si]

> <PUBCHEM_CACTVS_TPSA>
29.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
216.00628256

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  12  8
13  14  8
5  6  8
5  7  8
5  9  8
6  10  8
6  8  8
7  11  8
8  12  8
9  13  8

$$$$