12960
 OpenBabel05082101102D

 59 58  0  0  1  0  0  0  0  0999 V2000
    6.3301    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8051    1.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8051    2.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5872    2.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5872    1.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730   -2.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730   -1.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3193   -1.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3193   -2.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    2.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5201    3.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2932    2.2881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991    2.2881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8722    3.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252    2.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611   -2.2881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881   -3.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350   -2.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7023   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0823    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7573   -2.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -3.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8312   -2.2881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1 14  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  2  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 17  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 25  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 26  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 27  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 28  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 29  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
12960

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
580

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
13

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
18

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwPAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAACAAAACggAICAAAAARAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
diethoxyphosphoryl [diethoxyphosphoryloxy(ethoxy)phosphoryl] ethyl phosphate

>  <PUBCHEM_IUPAC_CAS_NAME>
phosphoric acid diethoxyphosphoryl [diethoxyphosphoryloxy(ethoxy)phosphoryl] ethyl ester

>  <PUBCHEM_IUPAC_NAME_MARKUP>
diethoxyphosphoryl [diethoxyphosphoryloxy(ethoxy)phosphoryl] ethyl phosphate

>  <PUBCHEM_IUPAC_NAME>
diethoxyphosphoryl [diethoxyphosphoryloxy(ethoxy)phosphoryl] ethyl phosphate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
diethoxyphosphoryl [diethoxyphosphoryloxy(ethoxy)phosphoryl] ethyl phosphate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phosphoric acid diethoxyphosphoryl [diethoxyphosphoryloxy(ethoxy)phosphoryl] ethyl ester

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H30O13P4/c1-7-17-26(13,18-8-2)23-28(15,21-11-5)25-29(16,22-12-6)24-27(14,19-9-3)20-10-4/h7-12H2,1-6H3

>  <PUBCHEM_IUPAC_INCHIKEY>
DAJYZXUXDOSMCG-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
0

>  <PUBCHEM_EXACT_MASS>
506.063689

>  <PUBCHEM_MOLECULAR_FORMULA>
C12H30O13P4

>  <PUBCHEM_MOLECULAR_WEIGHT>
506.25

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC

>  <PUBCHEM_CACTVS_TPSA>
151

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
506.063689

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
29

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

>  <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>
1  8  3
2  9  3

$$$$
