25041
 OpenBabel05082101102D

 14 11  0  0  0  0  0  0  0  0999 V2000
    3.9399    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9399    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8059    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.2869    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.9399    4.0369    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0739    2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    2.8239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4768    4.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299    4.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2499    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  CHG  4   2  -1   3  -1   5   1   6   1
M  END
>  <PUBCHEM_COMPOUND_CID>
25041

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
18.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccADMABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
diammonium;sulfite

>  <PUBCHEM_IUPAC_CAS_NAME>
diammonium;sulfite

>  <PUBCHEM_IUPAC_NAME_MARKUP>
diazanium;sulfite

>  <PUBCHEM_IUPAC_NAME>
diazanium;sulfite

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
diazanium;sulfite

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diammonium;sulfite

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3)

>  <PUBCHEM_IUPAC_INCHIKEY>
PQUCIEFHOVEZAU-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
116.025563

>  <PUBCHEM_MOLECULAR_FORMULA>
H8N2O3S

>  <PUBCHEM_MOLECULAR_WEIGHT>
116.14

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

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

>  <PUBCHEM_CACTVS_TPSA>
84.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
116.025563

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
6

>  <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

$$$$
