50910084
  -OEChem-05082421522D

 31 28  0     1  0  0  0  0  0999 V2000
    0.0000    3.5600    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    7.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    0.3100    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.6350    5.1200    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.6350    1.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6350    6.1200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7690    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1720    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1675    2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3705    2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1675    7.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3705    7.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9040    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9040    6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0
  2 28  1  0  0  0  0
  3 17  1  0  0  0  0
  3 29  1  0  0  0  0
  4 18  1  0  0  0  0
  4 30  1  0  0  0  0
  5 19  1  0  0  0  0
  5 31  1  0  0  0  0
  6 16  2  0  0  0  0
  7 17  2  0  0  0  0
  8 18  2  0  0  0  0
  9 19  2  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 14 18  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  CHG  2  10  -1  11  -1
M  END
> <PUBCHEM_COMPOUND_CID>
50910084

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
133

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzPAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACABAAgAIAACQCAAAAAAAAAAAAIGAAAACABgAAAAAQAAGEAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
copper;1,2-dicarboxyethylazanide

> <PUBCHEM_IUPAC_CAS_NAME>
copper;1,2-dicarboxyethylazanide

> <PUBCHEM_IUPAC_NAME_MARKUP>
copper;1,2-dicarboxyethylazanide

> <PUBCHEM_IUPAC_NAME>
copper;1,2-dicarboxyethylazanide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]azanide;copper

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
copper;1,2-dicarboxyethylazanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C4H6NO4.Cu/c2*5-2(4(8)9)1-3(6)7;/h2*2,5H,1H2,(H,6,7)(H,8,9);/q2*-1;

> <PUBCHEM_IUPAC_INCHIKEY>
XFHPSDLSPAYYPJ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
326.988962

> <PUBCHEM_MOLECULAR_FORMULA>
C8H12CuN2O8-2

> <PUBCHEM_MOLECULAR_WEIGHT>
327.74

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(C(=O)O)[NH-])C(=O)O.C(C(C(=O)O)[NH-])C(=O)O.[Cu]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C(C(=O)O)[NH-])C(=O)O.C(C(C(=O)O)[NH-])C(=O)O.[Cu]

> <PUBCHEM_CACTVS_TPSA>
151

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
326.988962

> <PUBCHEM_TOTAL_CHARGE>
-2

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  10  3
13  11  3

$$$$