26398
 OpenBabel05082101102D

 15 12  0  0  0  0  0  0  0  0999 V2000
    5.1350    0.1270    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1270    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.1270    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6270    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6270    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9030    0.9930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.7390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    0.9930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671   -0.7390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  3 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
26398

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
79.2

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYADOABgAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQQAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
cobaltous;disulfamate

>  <PUBCHEM_IUPAC_CAS_NAME>
cobalt(2+);disulfamate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
cobalt(2+);disulfamate

>  <PUBCHEM_IUPAC_NAME>
cobalt(2+);disulfamate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cobalt(2+);disulfamate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cobaltous;disulfamate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/Co.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
WLQXLCXXAPYDIU-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
250.884272

>  <PUBCHEM_MOLECULAR_FORMULA>
CoH4N2O6S2

>  <PUBCHEM_MOLECULAR_WEIGHT>
251.11

>  <PUBCHEM_OPENEYE_CAN_SMILES>
NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Co+2]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Co+2]

>  <PUBCHEM_CACTVS_TPSA>
183

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
250.884272

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <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

$$$$
