61513
  -OEChem-04242411072D

 25 18  0     0  0  0  0  0  0999 V2000
    3.0739    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    4.0739    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0739    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0739    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0739    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.2150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6108    4.0850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.3350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0739    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0739    7.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1477    4.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0739    4.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6108    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    5.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6108    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0739    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6108    7.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    7.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0739    6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    2.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  CHG  3   1   2   3  -1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
61513

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
62.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccADuABAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQCAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
copper;ammonia;sulfate;hydrate

> <PUBCHEM_IUPAC_CAS_NAME>
copper;ammonia;sulfate;hydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
copper;azane;sulfate;hydrate

> <PUBCHEM_IUPAC_NAME>
copper;azane;sulfate;hydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
copper;azane;sulfate;hydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cupric;ammonia;sulfate;hydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Cu.4H3N.H2O4S.H2O/c;;;;;1-5(2,3)4;/h;4*1H3;(H2,1,2,3,4);1H2/q+2;;;;;;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
ABAHXVHZPFQSDZ-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
244.998088

> <PUBCHEM_MOLECULAR_FORMULA>
CuH14N4O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
245.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
N.N.N.N.O.[O-]S(=O)(=O)[O-].[Cu+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
N.N.N.N.O.[O-]S(=O)(=O)[O-].[Cu+2]

> <PUBCHEM_CACTVS_TPSA>
93.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
244.998088

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
7

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$