14809
 OpenBabel05082101102D

  5  3  0  0  0  0  0  0  0  0999 V2000
    3.5369    0.5880    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   -0.2780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   -0.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
14809

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
2.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMAAAAAACAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
hydrogen peroxide;zinc

>  <PUBCHEM_IUPAC_CAS_NAME>
hydrogen peroxide;zinc

>  <PUBCHEM_IUPAC_NAME_MARKUP>
hydrogen peroxide;zinc

>  <PUBCHEM_IUPAC_NAME>
hydrogen peroxide;zinc

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
hydrogen peroxide;zinc

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
hydrogen peroxide;zinc

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/H2O2.Zn/c1-2;/h1-2H;

>  <PUBCHEM_IUPAC_INCHIKEY>
DLINORNFHVEIFE-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
97.934621

>  <PUBCHEM_MOLECULAR_FORMULA>
H2O2Zn

>  <PUBCHEM_MOLECULAR_WEIGHT>
99.4

>  <PUBCHEM_OPENEYE_CAN_SMILES>
OO.[Zn]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
OO.[Zn]

>  <PUBCHEM_CACTVS_TPSA>
40.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
97.934621

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
3

>  <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_NONSTANDARDBOND>
1  2  6
1  3  6

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
