71301369
  -OEChem-05122404082D

 61 64  0     0  0  0  0  0  0999 V2000
    6.5334   -0.8216    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    8.6165   -4.3768    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    7.6093    4.4031    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1468    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
   11.9734    0.1227    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6468    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.1165   -5.2428    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.8269   -0.3983    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1316    5.2817    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.5334   -1.9684    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    6.5334    0.3252    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.8005   -2.4271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2154   -2.4781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8770    0.9113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2154    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3866   -0.8216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6802   -0.8216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225   -2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3443   -2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225    1.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3443    1.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0492   -3.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0940   -3.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0492    1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0431    1.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757   -1.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757   -0.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4911   -1.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4911   -0.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7047   -1.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7047   -0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2602   -1.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2857   -0.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268   -4.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6165   -4.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5743    2.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5621    2.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0492   -5.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0940   -5.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0934    3.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0872    3.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1523   -1.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2033    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274   -1.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274   -0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0699   -1.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0954   -0.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9068   -4.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9545    2.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1819    2.6608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7392   -5.8186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -5.8186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7972    4.1204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1372   -2.5211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2184    0.8082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4904   -1.6158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4904   -0.0274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5991   -1.7239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 35  1  0  0  0  0
  3 41  1  0  0  0  0
  4 43  1  0  0  0  0
  5 49  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 18  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  2  0  0  0  0
 13 28  1  0  0  0  0
 14 20  1  0  0  0  0
 14 27  2  0  0  0  0
 15 21  1  0  0  0  0
 15 29  2  0  0  0  0
 16 26  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  2  0  0  0  0
 17 29  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 23  2  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 24 25  1  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 31  2  0  0  0  0
 30 42  1  0  0  0  0
 31 43  1  0  0  0  0
 32 33  2  0  0  0  0
 32 44  1  0  0  0  0
 33 45  1  0  0  0  0
 34 38  2  0  0  0  0
 34 50  1  0  0  0  0
 35 39  2  0  0  0  0
 36 40  2  0  0  0  0
 36 51  1  0  0  0  0
 37 41  2  0  0  0  0
 37 52  1  0  0  0  0
 38 39  1  0  0  0  0
 38 53  1  0  0  0  0
 39 54  1  0  0  0  0
 40 41  1  0  0  0  0
 40 55  1  0  0  0  0
 42 46  2  0  0  0  0
 42 56  1  0  0  0  0
 43 47  2  0  0  0  0
 44 48  2  0  0  0  0
 44 57  1  0  0  0  0
 45 49  2  0  0  0  0
 45 58  1  0  0  0  0
 46 47  1  0  0  0  0
 46 59  1  0  0  0  0
 47 60  1  0  0  0  0
 48 49  1  0  0  0  0
 48 61  1  0  0  0  0
M  CHG  8   1   2   2  -1   3  -1   4  -1   5  -1   6   1   7   1   8   1
M  CHG  3   9   1  10  -1  11  -1
M  END
> <PUBCHEM_COMPOUND_CID>
71301369

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1410

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB/wDBwAAAEAAAAAAAAAAAAAWLECAAwYMGAAAAAAFiB9AAAHAQAAAAADACBWgAxsdIIEACgAiJiZACCgCkhACAJmDggRJiIIOLAmZGEIAhggALIyCcQgIAOkAAAgAAUAAAgAAEAACgAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
copper;tetrasodium;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-5,17,25,33-tetrathiolate

> <PUBCHEM_IUPAC_CAS_NAME>
copper;tetrasodium;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-5,17,25,33-tetrathiolate

> <PUBCHEM_IUPAC_NAME_MARKUP>
copper;tetrasodium;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.1<SUP>3,10</SUP>.1<SUP>12,19</SUP>.1<SUP>21,28</SUP>.0<SUP>4,9</SUP>.0<SUP>13,18</SUP>.0<SUP>22,27</SUP>.0<SUP>31,36</SUP>]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-5,17,25,33-tetrathiolate

> <PUBCHEM_IUPAC_NAME>
copper;tetrasodium;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-5,17,25,33-tetrathiolate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
copper;tetrasodium;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-5,17,25,33-tetrathiolate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cupric;tetrasodium;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-5,17,25,33-tetrathiolate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C32H16N8S4.Cu.4Na/c41-13-7-9-15-19(11-13)29-33-25(15)37-31-23-17(3-1-5-21(23)43)27(39-31)35-28-18-4-2-6-22(44)24(18)32(40-28)38-26-16-10-8-14(42)12-20(16)30(34-26)36-29;;;;;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44);;;;;/q-2;+2;4*+1/p-4

> <PUBCHEM_IUPAC_INCHIKEY>
AZIGSRMPPNXOIS-UHFFFAOYSA-J

> <PUBCHEM_EXACT_MASS>
790.895451

> <PUBCHEM_MOLECULAR_FORMULA>
C32H12CuN8Na4S4

> <PUBCHEM_MOLECULAR_WEIGHT>
792.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C(=C1)[S-])C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC=C8[S-])C(=N7)N=C2[N-]3)[S-])C9=C4C=CC(=C9)[S-].[Na+].[Na+].[Na+].[Na+].[Cu+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C(=C1)[S-])C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC=C8[S-])C(=N7)N=C2[N-]3)[S-])C9=C4C=CC(=C9)[S-].[Na+].[Na+].[Na+].[Na+].[Cu+2]

> <PUBCHEM_CACTVS_TPSA>
80.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
790.895451

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
49

> <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>
6

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_NONSTANDARDBOND>
1  10  6
1  11  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  18  8
10  19  8
11  20  8
11  21  8
12  18  8
12  26  8
13  19  8
13  28  8
14  20  8
14  27  8
15  21  8
15  29  8
16  26  8
16  27  8
17  28  8
17  29  8
18  22  8
19  23  8
20  24  8
21  25  8
22  23  8
22  34  8
23  35  8
24  25  8
24  36  8
25  37  8
30  31  8
30  42  8
31  43  8
32  33  8
32  44  8
33  45  8
34  38  8
35  39  8
36  40  8
37  41  8
38  39  8
40  41  8
42  46  8
43  47  8
44  48  8
45  49  8
46  47  8
48  49  8

$$$$