124081048
 OpenBabel05082101102D

 66 64  0  0  1  0  0  0  0  0999 V2000
    5.7331    6.1200    0.0000 Au  0  3  0  0  0  0  0  0  0  0  0  0
    5.7331    5.1200    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    4.0010   12.2769    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    3.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0010    3.1200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1350    4.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8671    3.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8671    4.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2690    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671   12.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   12.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   11.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331   12.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   12.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   10.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    5.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    4.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    3.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1551    2.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7751    3.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656   13.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685   13.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335   13.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365   13.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131   10.6943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116   11.3846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4231   11.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700   11.9669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0431   12.8139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590   12.8139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   11.9669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790   11.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   11.3139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   10.4669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4450   10.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 18  1  0  0  0  0
  8 24  1  0  0  0  0
  9 19  2  0  0  0  0
 10 20  2  0  0  0  0
 11 21  2  0  0  0  0
 12 24  2  0  0  0  0
 13  5  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 33  1  6  0  0  0
 14  6  1  0  0  0  0
 14 16  1  0  0  0  0
 14 34  1  6  0  0  0
 15 18  1  0  0  0  0
 15 35  1  6  0  0  0
 16  7  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  1  0  0  0
 17  2  1  0  0  0  0
 17 37  1  6  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 30  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 31  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 29 32  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 31 63  1  0  0  0  0
 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
 32 66  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
124081048

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
532

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PAJAAAAAAAAAAgAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgwAAAAACBSswAKCCAAABCAIAACQCAAAAAAAAAAAAAAAAAABAAIAAAACAAAFAAACAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
gold(1+);(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-thiolate;triethylphosphane

>  <PUBCHEM_IUPAC_CAS_NAME>
gold(1+);(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanethiolate;triethylphosphine

>  <PUBCHEM_IUPAC_NAME_MARKUP>
gold(1+);(2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate;triethylphosphane

>  <PUBCHEM_IUPAC_NAME>
gold(1+);(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate;triethylphosphane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
gold(1+);(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate;triethylphosphane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
gold(1+);(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-thiolate;triethylphosphine

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11+,12+,13-,14+;;/m1../s1

>  <PUBCHEM_IUPAC_INCHIKEY>
AUJRCFUBUPVWSZ-JMYRMHIVSA-M

>  <PUBCHEM_EXACT_MASS>
678.132686

>  <PUBCHEM_MOLECULAR_FORMULA>
C20H34AuO9PS

>  <PUBCHEM_MOLECULAR_WEIGHT>
678.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCP(CC)CC.CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCP(CC)CC.CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+]

>  <PUBCHEM_CACTVS_TPSA>
115

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
678.132686

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
32

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

>  <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

>  <PUBCHEM_BONDANNOTATIONS>
15  18  5
17  2  5
13  5  5
14  6  5
16  7  6

$$$$
