159402
  -OEChem-04252411412D

  7  6  0     0  0  0  0  0  0999 V2000
    2.8660    0.2500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
159402

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
124

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOAAAAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
iodyl iodate

> <PUBCHEM_IUPAC_CAS_NAME>
iodic acid iodyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
iodyl iodate

> <PUBCHEM_IUPAC_NAME>
iodyl iodate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
iodyl iodate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
iodic acid iodyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/I2O5/c3-1(4)7-2(5)6

> <PUBCHEM_IUPAC_INCHIKEY>
BIZCJSDBWZTASZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.2

> <PUBCHEM_EXACT_MASS>
333.78352

> <PUBCHEM_MOLECULAR_FORMULA>
I2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
333.81

> <PUBCHEM_OPENEYE_CAN_SMILES>
O=I(=O)OI(=O)=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
O=I(=O)OI(=O)=O

> <PUBCHEM_CACTVS_TPSA>
77.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
333.78352

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$