60119270
  -OEChem-04192415292D

 23 20  0     0  0  0  0  0  0999 V2000
    3.3987    0.2306    0.0000 Cu  0  3  0  0  0  0  0  0  0  0  0  0
    4.2077    0.8184    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.5896    0.8184    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.8987    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8987    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -0.7694    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.3987   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3987   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7973    1.0099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5721    0.3168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2252    0.3168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5051    1.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8339    2.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9635    2.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2922    1.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0187   -0.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7787   -1.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -2.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0187   -1.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3987   -0.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7787   -0.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3987   -1.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
M  CHG  4   1   1   2   1   3   1   6  -1
M  END
> <PUBCHEM_COMPOUND_CID>
60119270

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
17.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAAAAAAEAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cuprous;2-oxonioethyloxonium;propane

> <PUBCHEM_IUPAC_CAS_NAME>
copper(1+);2-oxonioethyloxonium;propane

> <PUBCHEM_IUPAC_NAME_MARKUP>
copper(1+);2-oxonioethyloxidanium;propane

> <PUBCHEM_IUPAC_NAME>
copper(1+);2-oxonioethyloxidanium;propane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
copper(1+);2-oxidaniumylethyloxidanium;propane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cuprous;2-oxonioethyloxonium;propane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H7.C2H6O2.Cu/c1-3-2;3-1-2-4;/h3H,1-2H3;3-4H,1-2H2;/q-1;;+1/p+2

> <PUBCHEM_IUPAC_INCHIKEY>
AHAPEVJIUYXXDD-UHFFFAOYSA-P

> <PUBCHEM_EXACT_MASS>
170.036802

> <PUBCHEM_MOLECULAR_FORMULA>
C5H15CuO2+2

> <PUBCHEM_MOLECULAR_WEIGHT>
170.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[CH-]C.C(C[OH2+])[OH2+].[Cu+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[CH-]C.C(C[OH2+])[OH2+].[Cu+]

> <PUBCHEM_CACTVS_TPSA>
2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
170.036802

> <PUBCHEM_TOTAL_CHARGE>
2

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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_NONSTANDARDBOND>
1  2  6
1  3  6
1  6  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$