160957
  -OEChem-05191311382D

  5  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
    4.5981    0.2500    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 S   0  6  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 S   0  6  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 S   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  5   1   3   2   3   3  -2   4  -2   5  -2
M  END
> <PUBCHEM_COMPOUND_CID>
160957

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
0

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAABgAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
diferric;trisulfide

> <PUBCHEM_IUPAC_CAS_NAME>
iron(3+);trisulfide

> <PUBCHEM_IUPAC_NAME>
iron(3+);trisulfide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
iron(3+);trisulfide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diferric;trisulfide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2Fe.3S/q2*+3;3*-2

> <PUBCHEM_IUPAC_INCHIKEY>
KAEAMHPPLLJBKF-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
207.786088

> <PUBCHEM_MOLECULAR_FORMULA>
Fe2S3

> <PUBCHEM_MOLECULAR_WEIGHT>
207.885

> <PUBCHEM_OPENEYE_CAN_SMILES>
[S-2].[S-2].[S-2].[Fe+3].[Fe+3]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[S-2].[S-2].[S-2].[Fe+3].[Fe+3]

> <PUBCHEM_CACTVS_TPSA>
3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
207.786088

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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>
5

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$