24759796
  -OEChem-05122406272D

 51 50  0     0  0  0  0  0  0999 V2000
    8.5991    3.6200    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    6.0010    5.1200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.6200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.1200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5991    2.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.7331    5.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    4.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    4.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8890    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8890    4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    5.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    5.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6490    4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    3.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    7.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 20  2  0  0  0  0
  3 21  2  0  0  0  0
  4 15  1  0  0  0  0
  4 42  1  0  0  0  0
  5 17  1  0  0  0  0
  5 43  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 22  1  0  0  0  0
  9 21  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 22 44  1  0  0  0  0
 23 27  2  0  0  0  0
 23 45  1  0  0  0  0
 24 28  2  0  0  0  0
 24 46  1  0  0  0  0
 25 29  2  0  0  0  0
 25 47  1  0  0  0  0
 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 29  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  CHG  3   1   2   6  -1   7  -1
M  END
> <PUBCHEM_COMPOUND_CID>
24759796

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
310

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABgAAACAAAAAAAAAAAAAAAAAAAwQIAAAAAAAAABAAAAHgQECAAADgTB2AQyBoIQAgCEAiBGQACCAAAgIggoiAAOCIgIJiKCERKAcAAkwBEImAfAwPAPgQABAAAIAAACAAIAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
zinc;2-tert-butylbenzene-1,4-diol;1-oxidopyridine-2-thione

> <PUBCHEM_IUPAC_CAS_NAME>
zinc;2-tert-butylbenzene-1,4-diol;1-oxido-2-pyridinethione

> <PUBCHEM_IUPAC_NAME_MARKUP>
zinc;2-<I>tert</I>-butylbenzene-1,4-diol;1-oxidopyridine-2-thione

> <PUBCHEM_IUPAC_NAME>
zinc;2-tert-butylbenzene-1,4-diol;1-oxidopyridine-2-thione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
zinc;2-tert-butylbenzene-1,4-diol;1-oxidanidylpyridine-2-thione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
zinc;2-tert-butylhydroquinone;1-oxidopyridine-2-thione

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14O2.2C5H4NOS.Zn/c1-10(2,3)8-6-7(11)4-5-9(8)12;2*7-6-4-2-1-3-5(6)8;/h4-6,11-12H,1-3H3;2*1-4H;/q;2*-1;+2

> <PUBCHEM_IUPAC_INCHIKEY>
QDMHDAKHPQCJKM-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
482.031241

> <PUBCHEM_MOLECULAR_FORMULA>
C20H22N2O4S2Zn

> <PUBCHEM_MOLECULAR_WEIGHT>
483.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)C1=C(C=CC(=C1)O)O.C1=CC(=S)N(C=C1)[O-].C1=CC(=S)N(C=C1)[O-].[Zn+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)C1=C(C=CC(=C1)O)O.C1=CC(=S)N(C=C1)[O-].C1=CC(=S)N(C=C1)[O-].[Zn+2]

> <PUBCHEM_CACTVS_TPSA>
157

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
482.031241

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  15  8
11  16  8
15  18  8
16  17  8
17  19  8
18  19  8
20  24  8
21  25  8
22  26  8
23  27  8
24  28  8
25  29  8
26  28  8
27  29  8
8  20  8
8  22  8
9  21  8
9  23  8

$$$$