6453349
  -OEChem-04252401172D

  3  0  0     0  0  0  0  0  0999 V2000
    2.8660   -0.2500    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1   3   2  -1   3  -2
M  END
> <PUBCHEM_COMPOUND_CID>
6453349

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
0

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAIAAEAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ferric;oxygen(2-);chloride

> <PUBCHEM_IUPAC_CAS_NAME>
iron(3+);oxygen(2-);chloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
iron(3+);oxygen(2-);chloride

> <PUBCHEM_IUPAC_NAME>
iron(3+);oxygen(2-);chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
iron(3+);oxygen(2-);chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ferric;oxygen(2-);chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/ClH.Fe.O/h1H;;/q;+3;-2/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
AFEXUNWJRCURNJ-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
106.898703

> <PUBCHEM_MOLECULAR_FORMULA>
ClFeO

> <PUBCHEM_MOLECULAR_WEIGHT>
107.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
[O-2].[Cl-].[Fe+3]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[O-2].[Cl-].[Fe+3]

> <PUBCHEM_CACTVS_TPSA>
1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
106.898703

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$