24437
 OpenBabel05082101102D

  6  3  0  0  0  0  0  0  0  0999 V2000
    3.7320    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
M  CHG  4   2   1   3   1   4  -1   5  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
24437

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
18.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMDBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
disodium;sulfite

>  <PUBCHEM_IUPAC_CAS_NAME>
disodium;sulfite

>  <PUBCHEM_IUPAC_NAME_MARKUP>
disodium;sulfite

>  <PUBCHEM_IUPAC_NAME>
disodium;sulfite

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
disodium;sulfite

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
disodium;sulfite

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2Na.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
GEHJYWRUCIMESM-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
125.936354

>  <PUBCHEM_MOLECULAR_FORMULA>
Na2O3S

>  <PUBCHEM_MOLECULAR_WEIGHT>
126.05

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

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

>  <PUBCHEM_CACTVS_TPSA>
82.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
125.936354

>  <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

$$$$
