22318
 OpenBabel05082101102D

 15 11  0  0  1  0  0  0  0  0999 V2000
    2.0000    0.5000    0.0000 Au  0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  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>
22318

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
126

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBgODBAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQAAAAACACEwACACAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABAAAAAAAAAEAAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

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

>  <PUBCHEM_IUPAC_INCHIKEY>
VXIHRIQNJCRFQX-UHFFFAOYSA-K

>  <PUBCHEM_EXACT_MASS>
389.921313

>  <PUBCHEM_MOLECULAR_FORMULA>
C4H3AuNa2O4S

>  <PUBCHEM_MOLECULAR_WEIGHT>
390.08

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

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

>  <PUBCHEM_CACTVS_TPSA>
81.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
389.921313

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <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>
4

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_NONSTANDARDBOND>
1  2  6

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
9  2  3

$$$$
