16760302
 OpenBabel05082101102D

 15 12  0  0  1  0  0  0  0  0999 V2000
    4.2690   -1.5000    0.0000 Au  0  3  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  CHG  4   1   1   2  -1   3   1   4  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
16760302

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
142

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgOCBAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQACAAACACEwACACAAAAgAIAACQCAAAAAAAAAAAAAEAAAAAABAAAAAAQAAEAAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;gold(1+);4-hydroxy-4-oxo-2-sulfido-butanoate

>  <PUBCHEM_IUPAC_CAS_NAME>
sodium;gold(1+);4-hydroxy-4-oxo-2-sulfidobutanoate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;gold(1+);4-hydroxy-4-oxo-2-sulfidobutanoate

>  <PUBCHEM_IUPAC_NAME>
sodium;gold(1+);4-hydroxy-4-oxo-2-sulfidobutanoate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;gold(1+);4-oxidanyl-4-oxidanylidene-2-sulfanidyl-butanoate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;gold(1+);4-hydroxy-4-keto-2-sulfido-butyrate

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

>  <PUBCHEM_IUPAC_INCHIKEY>
LTEMOXGFFHXNNS-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
367.939369

>  <PUBCHEM_MOLECULAR_FORMULA>
C4H4AuNaO4S

>  <PUBCHEM_MOLECULAR_WEIGHT>
368.1

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

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

>  <PUBCHEM_CACTVS_TPSA>
78.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
367.939369

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <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>
3

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_NONSTANDARDBOND>
1  2  6
3  4  7

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
8  2  3

$$$$
