24482
 OpenBabel05082101102D

 12 10  0  0  0  0  0  0  0  0999 V2000
    1.4030    1.1200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    1.9860    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    1.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    0.2540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    4.5230    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6714    4.8330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976    4.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8245    5.0599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4445    3.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  CHG  2   2  -1   6   1
M  END
>  <PUBCHEM_COMPOUND_CID>
24482

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
79.2

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYADMABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQQAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
ammonium;sulfamate

>  <PUBCHEM_IUPAC_CAS_NAME>
ammonium;sulfamate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
azanium;sulfamate

>  <PUBCHEM_IUPAC_NAME>
azanium;sulfamate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azanium;sulfamate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ammonium;sulfamate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/H3NO3S.H3N/c1-5(2,3)4;/h(H3,1,2,3,4);1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
GEHMBYLTCISYNY-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
114.009913

>  <PUBCHEM_MOLECULAR_FORMULA>
H6N2O3S

>  <PUBCHEM_MOLECULAR_WEIGHT>
114.13

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

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

>  <PUBCHEM_CACTVS_TPSA>
92.6

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
114.009913

>  <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>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
