22833361
 OpenBabel05082101102D

 99 96  0  0  0  0  0  0  0  0999 V2000
   10.6603   -3.0311    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.5311    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.5311    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
   11.8923   -3.8971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282   -3.8971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -3.0311    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.0311    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -3.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8923   -2.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282   -2.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8923    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8923   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8923    3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3239   -4.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1210   -4.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3673    0.9005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3673    1.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -4.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -4.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    1.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    0.9005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549   -2.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4579   -2.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9174    0.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9174    0.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -2.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -2.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4032    0.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4032    0.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9870   -2.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1899   -2.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9174    2.5636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9174    1.7665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -2.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -2.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4032    1.7665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4032    2.5636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919   -4.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889   -4.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3673   -0.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3673   -0.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -4.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -4.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533   -0.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533   -0.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0560   -4.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8530   -4.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3673    2.6326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3673    3.4296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    3.4296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    2.6326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229   -2.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258   -2.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9174   -0.9005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9174   -1.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -2.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -2.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4032   -1.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4032   -0.9005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6305   -3.5680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8574   -2.7211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0105   -2.4942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    4.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0823    4.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554    3.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.4942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.7211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.5680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    4.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    4.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 18  1  0  0  0  0
 14 22  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 19  1  0  0  0  0
 15 23  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 24  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 25  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 26  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 27  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 28  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 29  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 30  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 31  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 32  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 25 33  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 34  1  0  0  0  0
 26 68  1  0  0  0  0
 26 69  1  0  0  0  0
 27 35  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 28 36  1  0  0  0  0
 28 72  1  0  0  0  0
 28 73  1  0  0  0  0
 29 37  1  0  0  0  0
 29 74  1  0  0  0  0
 29 75  1  0  0  0  0
 30 38  1  0  0  0  0
 30 76  1  0  0  0  0
 30 77  1  0  0  0  0
 31 39  1  0  0  0  0
 31 78  1  0  0  0  0
 31 79  1  0  0  0  0
 32 80  1  0  0  0  0
 32 81  1  0  0  0  0
 33 82  1  0  0  0  0
 33 83  1  0  0  0  0
 34 84  1  0  0  0  0
 34 85  1  0  0  0  0
 35 86  1  0  0  0  0
 35 87  1  0  0  0  0
 36 88  1  0  0  0  0
 36 89  1  0  0  0  0
 36 90  1  0  0  0  0
 37 91  1  0  0  0  0
 37 92  1  0  0  0  0
 37 93  1  0  0  0  0
 38 94  1  0  0  0  0
 38 95  1  0  0  0  0
 38 96  1  0  0  0  0
 39 97  1  0  0  0  0
 39 98  1  0  0  0  0
 39 99  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
22833361

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
209

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
28

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OANwAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAACAACACggAICAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAEAAAAAAGAwCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
zinc;diheptoxy-sulfido-thioxo-lambda5-phosphane

>  <PUBCHEM_IUPAC_CAS_NAME>
zinc;diheptoxy-sulfanylidene-sulfidophosphorane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
zinc;diheptoxy-sulfanylidene-sulfido-&lambda;<SUP>5</SUP>-phosphane

>  <PUBCHEM_IUPAC_NAME>
zinc;diheptoxy-sulfanylidene-sulfido-lambda5-phosphane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
zinc;diheptoxy-sulfanidyl-sulfanylidene-lambda5-phosphane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
zinc;diheptoxy-sulfido-thioxo-phosphorane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C14H31O2PS2.Zn/c2*1-3-5-7-9-11-13-15-17(18,19)16-14-12-10-8-6-4-2;/h2*3-14H2,1-2H3,(H,18,19);/q;;+2/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
ZKAQFYDDTYGBBV-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
714.214111

>  <PUBCHEM_MOLECULAR_FORMULA>
C28H60O4P2S4Zn

>  <PUBCHEM_MOLECULAR_WEIGHT>
716.4

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCOP(=S)(OCCCCCCC)[S-].CCCCCCCOP(=S)(OCCCCCCC)[S-].[Zn+2]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCOP(=S)(OCCCCCCC)[S-].CCCCCCCOP(=S)(OCCCCCCC)[S-].[Zn+2]

>  <PUBCHEM_CACTVS_TPSA>
103

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
714.214111

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
39

>  <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

$$$$
