24863
  -OEChem-05032418022D

 21 16  0     0  0  0  0  0  0999 V2000
    2.5981    0.8660    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    0.8660    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4641    1.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1962    0.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3660    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    4.2690    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5981    7.3429    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1350    4.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611    3.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2881    4.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9081    3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.6529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611    7.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2881    7.8798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9081    6.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  2  0  0  0  0
  3 11  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  CHG  7   1   2   4  -1   5  -1   6  -1   7  -1  12   1  13   1
M  END
> <PUBCHEM_COMPOUND_CID>
24863

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
62.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccADPABgAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
diammonium;ferrous;disulfate

> <PUBCHEM_IUPAC_CAS_NAME>
diammonium;iron(2+);disulfate

> <PUBCHEM_IUPAC_NAME_MARKUP>
diazanium;iron(2+);disulfate

> <PUBCHEM_IUPAC_NAME>
diazanium;iron(2+);disulfate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
diazanium;iron(2+);disulfate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diammonium;ferrous;disulfate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Fe.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
IMBKASBLAKCLEM-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
283.907143

> <PUBCHEM_MOLECULAR_FORMULA>
FeH8N2O8S2

> <PUBCHEM_MOLECULAR_WEIGHT>
284.1

> <PUBCHEM_OPENEYE_CAN_SMILES>
[NH4+].[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[NH4+].[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+2]

> <PUBCHEM_CACTVS_TPSA>
179

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
283.907143

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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

$$$$