70561328
  -OEChem-05112407352D

 34 34  0     0  0  0  0  0  0999 V2000
    4.7690    5.1200    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1200    0.0000 Li  0  4  0  0  0  0  0  0  0  0  0  0
    5.3059    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    8.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9040    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3059    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    7.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2830    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5230    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5431    7.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7700    8.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9231    8.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1720    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  6 18  1  0  0  0  0
  7 13  2  0  0  0  0
  7 15  1  0  0  0  0
  8 14  2  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  RAD  1  19   2
M  END
> <PUBCHEM_COMPOUND_CID>
70561328

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
209

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcchwMAIAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACCAADASAmAAyBoAAARCAAiBCAAACAAAgIAAIiAAGCIgIJiKAERKAMAAkwBEIiAeAwAAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H15O3P.Li/c1-11-3-7-13(8-4-11)16-18(15)17-14-9-5-12(2)6-10-14;/h3-10,15H,1-2H3;

> <PUBCHEM_IUPAC_INCHIKEY>
JOOZOWRTWDFGNB-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
269.09188477

> <PUBCHEM_MOLECULAR_FORMULA>
C14H15LiO3P

> <PUBCHEM_MOLECULAR_WEIGHT>
269.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
[Li].CC1=CC=C(C=C1)OP(O)OC2=CC=C(C=C2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
[Li].CC1=CC=C(C=C1)OP(O)OC2=CC=C(C=C2)C

> <PUBCHEM_CACTVS_TPSA>
38.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
269.09188477

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  15  8
12  16  8
5  11  8
5  9  8
6  10  8
6  12  8
7  13  8
7  15  8
8  14  8
8  16  8
9  13  8

$$$$