3037100
  -OEChem-05122413012D

 55 46  0     0  0  0  0  0  0999 V2000
    7.7331    7.8600    0.0000 Cu  0  3  0  0  0  0  0  0  0  0  0  0
    4.2690    7.8600    0.0000 Cu  0  3  0  0  0  0  0  0  0  0  0  0
   12.0021    6.2400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.4550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0021   10.6700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0021   15.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.2711    8.4550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0021    1.8100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    7.8600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    8.3600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1350    7.3600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5010    8.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    6.9940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2700    6.2400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1360    4.7400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    8.4550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.9550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2700   10.6700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1360    9.1700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2700   15.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1360   13.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5390    8.4550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4050    6.9550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2700    1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1360    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1360    5.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1360   10.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1360   14.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4050    7.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1360    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2700    6.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6730    4.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5991    4.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    6.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    6.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331   10.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2700   11.2900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6730    8.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5991    8.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331   14.7900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2700   15.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6730   13.2900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5991   13.2900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0021    8.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5390    9.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9420    6.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8681    6.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2700    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6730    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5991    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 26  2  0  0  0  0
  4 27  2  0  0  0  0
  5 28  2  0  0  0  0
  6 29  2  0  0  0  0
  7 30  2  0  0  0  0
  8 31  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  2  0  0  0  0
 14 26  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 26  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 27  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 27  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 28  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 28  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 29  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 29  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 30  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 30  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 31  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 31  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
M  CHG  4   1   1   2   1  10  -1  11  -1
M  END
> <PUBCHEM_COMPOUND_CID>
3037100

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
91.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
12

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBj+ABwAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAQQAAAAAAAAAAABAABAAAAEAAAAADAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dicuprous;thiourea;sulfate

> <PUBCHEM_IUPAC_CAS_NAME>
copper(1+);thiourea;sulfate

> <PUBCHEM_IUPAC_NAME_MARKUP>
copper(1+);thiourea;sulfate

> <PUBCHEM_IUPAC_NAME>
copper(1+);thiourea;sulfate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
copper(1+);thiourea;sulfate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dicuprous;thiourea;sulfate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/6CH4N2S.2Cu.H2O4S/c6*2-1(3)4;;;1-5(2,3)4/h6*(H4,2,3,4);;;(H2,1,2,3,4)/q;;;;;;2*+1;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
WWMMQZFUEQDGSW-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
677.868040

> <PUBCHEM_MOLECULAR_FORMULA>
C6H24Cu2N12O4S7

> <PUBCHEM_MOLECULAR_WEIGHT>
679.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.[O-]S(=O)(=O)[O-].[Cu+].[Cu+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.[O-]S(=O)(=O)[O-].[Cu+].[Cu+]

> <PUBCHEM_CACTVS_TPSA>
593

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
677.868040

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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>
9

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$