21953595
  -OEChem-05112402192D

 57 52  0     0  0  0  0  0  0999 V2000
    5.4641    0.0000    0.0000 Hf  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9641    0.8660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.8660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641   -1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641   -3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2741    3.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6541   -3.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.1120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0841    1.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.3521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641   -1.1120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8441   -1.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641   -2.3521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.7741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1541    4.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9272    3.1541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9272   -3.7741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7741   -4.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0010   -3.1541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  2  0  0  0  0
  7 19  2  0  0  0  0
  8 20  2  0  0  0  0
  9 21  2  0  0  0  0
 10 14  2  0  0  0  0
 10 18  1  0  0  0  0
 10 30  1  0  0  0  0
 11 15  2  0  0  0  0
 11 19  1  0  0  0  0
 11 31  1  0  0  0  0
 12 16  2  0  0  0  0
 12 20  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  2  0  0  0  0
 13 21  1  0  0  0  0
 13 33  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 21 29  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  CHG  5   1   4   2  -1   3  -1   4  -1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
21953595

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
90.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4PAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACASAgAACAAAAAACIAKBSAAAAAAAgIAAACAAAAEgAAAAAAQAAAAAAAAAIAQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
hafnium(4+);(Z)-4-oxopent-2-en-2-olate

> <PUBCHEM_IUPAC_CAS_NAME>
hafnium(4+);(Z)-4-oxo-2-penten-2-olate

> <PUBCHEM_IUPAC_NAME_MARKUP>
hafnium(4+);(<I>Z</I>)-4-oxopent-2-en-2-olate

> <PUBCHEM_IUPAC_NAME>
hafnium(4+);(Z)-4-oxopent-2-en-2-olate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
hafnium(4+);(Z)-4-oxidanylidenepent-2-en-2-olate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
hafnium(4+);(Z)-4-ketopent-2-en-2-olate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/4C5H8O2.Hf/c4*1-4(6)3-5(2)7;/h4*3,6H,1-2H3;/q;;;;+4/p-4/b4*4-3-;

> <PUBCHEM_IUPAC_INCHIKEY>
MCFIMQJAFAOJPD-MTOQALJVSA-J

> <PUBCHEM_EXACT_MASS>
576.12498

> <PUBCHEM_MOLECULAR_FORMULA>
C20H28HfO8

> <PUBCHEM_MOLECULAR_WEIGHT>
574.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Hf+4]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Hf+4]

> <PUBCHEM_CACTVS_TPSA>
161

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
576.12498

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
4

> <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

$$$$