16206854
  -OEChem-05112403142D

  3  3  0     0  0  0  0  0  0999 V2000
    2.5000   -0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16206854

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
4.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAABgAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
trioxirane

> <PUBCHEM_IUPAC_CAS_NAME>
trioxirane

> <PUBCHEM_IUPAC_NAME_MARKUP>
trioxirane

> <PUBCHEM_IUPAC_NAME>
trioxirane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,3-trioxirane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
trioxirane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/O3/c1-2-3-1

> <PUBCHEM_IUPAC_INCHIKEY>
XQOAKYYZMDCSIA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.1

> <PUBCHEM_EXACT_MASS>
47.984743858

> <PUBCHEM_MOLECULAR_FORMULA>
O3

> <PUBCHEM_MOLECULAR_WEIGHT>
47.998

> <PUBCHEM_OPENEYE_CAN_SMILES>
O1OO1

> <PUBCHEM_OPENEYE_ISO_SMILES>
O1OO1

> <PUBCHEM_CACTVS_TPSA>
39.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
47.984743858

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  2  8
1  3  8
2  3  8

$$$$