14915
 OpenBabel05082101102D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.8660    0.2500    0.0000 Cr  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
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
14915

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
61.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
trioxochromium

>  <PUBCHEM_IUPAC_CAS_NAME>
trioxochromium

>  <PUBCHEM_IUPAC_NAME_MARKUP>
trioxochromium

>  <PUBCHEM_IUPAC_NAME>
trioxochromium

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tris(oxidanylidene)chromium

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
triketochromium

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/Cr.3O

>  <PUBCHEM_IUPAC_INCHIKEY>
WGLPBDUCMAPZCE-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
99.925249

>  <PUBCHEM_MOLECULAR_FORMULA>
CrO3

>  <PUBCHEM_MOLECULAR_WEIGHT>
99.994

>  <PUBCHEM_OPENEYE_CAN_SMILES>
O=[Cr](=O)=O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
O=[Cr](=O)=O

>  <PUBCHEM_CACTVS_TPSA>
51.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
99.925249

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
4

>  <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

$$$$
