3000391
  -OEChem-05112420582D

 17 11  0     0  0  0  0  0  0999 V2000
    4.5981    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0000    0.0000 O   0  5  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
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  2  0  0  0  0
  2  6  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  4 12  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
M  CHG  4   5  -1   6  -1   7  -1   8  -1
M  END
> <PUBCHEM_COMPOUND_CID>
3000391

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
7.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAPAAHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
molecular oxygen;tetrachlorite;hydrate

> <PUBCHEM_IUPAC_CAS_NAME>
molecular oxygen;tetrachlorite;hydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
molecular oxygen;tetrachlorite;hydrate

> <PUBCHEM_IUPAC_NAME>
molecular oxygen;tetrachlorite;hydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
molecular oxygen;tetrachlorite;hydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
molecular oxygen;tetrachlorite;hydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/4ClHO2.O2.H2O/c4*2-1-3;1-2;/h4*(H,2,3);;1H2/p-4

> <PUBCHEM_IUPAC_INCHIKEY>
VOWOEBADKMXUBU-UHFFFAOYSA-J

> <PUBCHEM_EXACT_MASS>
319.832172

> <PUBCHEM_MOLECULAR_FORMULA>
Cl4H2O11-4

> <PUBCHEM_MOLECULAR_WEIGHT>
319.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
O.[O-]Cl=O.[O-]Cl=O.[O-]Cl=O.[O-]Cl=O.O=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
O.[O-]Cl=O.[O-]Cl=O.[O-]Cl=O.[O-]Cl=O.O=O

> <PUBCHEM_CACTVS_TPSA>
196

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
317.835122

> <PUBCHEM_TOTAL_CHARGE>
-4

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
6

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$