5360437
  -OEChem-05251308062D

 29 26  0     0  0  0  0  0  0999 V2000
    5.4641   -0.6900    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1900    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    0.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -2.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
5360437

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
90.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACASAgAACAAAAAACIAKBSAAAAAAAgIAAACAAAAEgAAAAAAQAAAAAAAAAIAQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C5H8O2.Zn/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;

> <PUBCHEM_IUPAC_INCHIKEY>
CYDXJXDAFPJUQE-FDGPNNRMSA-L

> <PUBCHEM_EXACT_MASS>
262.018351

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14O4Zn

> <PUBCHEM_MOLECULAR_WEIGHT>
263.59576

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Zn+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Zn+2]

> <PUBCHEM_CACTVS_TPSA>
80.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
262.018351

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
15

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$