16057901
  -OEChem-04252409482D

 46 42  0     0  0  0  0  0  0999 V2000
    8.5570    0.0000    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6730    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    6.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6730    6.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6730    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6730    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    5.2434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    5.2434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2055    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4084    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2055    8.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4084    8.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3110    4.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    5.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6910    5.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    5.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    4.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3849    4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7649    3.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8490    3.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0759    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2290    4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3849    8.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    8.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7649    7.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8490    7.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0759    8.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2290    8.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6 15  2  0  0  0  0
  7 16  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16057901

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
82.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACASAgAACAAAAAAAIAIAQAAAAAAAAAAAAAAEAAAAAABIIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
pentane-2,4-dione;ruthenium

> <PUBCHEM_IUPAC_CAS_NAME>
pentane-2,4-dione;ruthenium

> <PUBCHEM_IUPAC_NAME_MARKUP>
pentane-2,4-dione;ruthenium

> <PUBCHEM_IUPAC_NAME>
pentane-2,4-dione;ruthenium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
pentane-2,4-dione;ruthenium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
pentane-2,4-dione;ruthenium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3C5H8O2.Ru/c3*1-4(6)3-5(2)7;/h3*3H2,1-2H3;

> <PUBCHEM_IUPAC_INCHIKEY>
GNHBILLJFGEMKL-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
402.061629

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O6Ru

> <PUBCHEM_MOLECULAR_WEIGHT>
401.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)CC(=O)C.CC(=O)CC(=O)C.CC(=O)CC(=O)C.[Ru]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)CC(=O)C.CC(=O)CC(=O)C.CC(=O)CC(=O)C.[Ru]

> <PUBCHEM_CACTVS_TPSA>
102

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
402.061629

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$