71443
 OpenBabel05082101102D

 18 13  0  0  1  0  0  0  0  0999 V2000
    2.5981    0.0000    0.0000 Au  0  3  0  0  0  0  0  0  0  0  0  0
    3.4641    0.5000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.1962    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3301    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1996    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4942    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 13  2  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  CHG  6   1   1   2  -1   3   1   4   1   5  -1   7  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
71443

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
122

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgODBAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQACAAACACEwACACAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABAAAAAAAAAEAAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
disodium;gold(1+);2-sulfidobutanedioate;hydrate

>  <PUBCHEM_IUPAC_CAS_NAME>
disodium;gold(1+);2-sulfidobutanedioate;hydrate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
disodium;gold(1+);2-sulfidobutanedioate;hydrate

>  <PUBCHEM_IUPAC_NAME>
disodium;gold(1+);2-sulfidobutanedioate;hydrate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
disodium;gold(1+);2-sulfanidylbutanedioate;hydrate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
disodium;gold(1+);2-sulfidosuccinate;hydrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H6O4S.Au.2Na.H2O/c5-3(6)1-2(9)4(7)8;;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;;1H2/q;3*+1;/p-3

>  <PUBCHEM_IUPAC_INCHIKEY>
YLQOAPBVYJCTPW-UHFFFAOYSA-K

>  <PUBCHEM_EXACT_MASS>
407.931878

>  <PUBCHEM_MOLECULAR_FORMULA>
C4H5AuNa2O5S

>  <PUBCHEM_MOLECULAR_WEIGHT>
408.09

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

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

>  <PUBCHEM_CACTVS_TPSA>
82.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
407.931878

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
13

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

>  <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

>  <PUBCHEM_BONDANNOTATIONS>
10  2  3

$$$$
