426756
  -OEChem-09272320492D

 25 22  0     0  0  0  0  0  0999 V2000
    3.7320    0.9641    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.8301    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    3.2320    1.8301    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4392   -1.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0249   -1.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8776   -2.1814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8776   -1.3046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5865   -1.3046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5865   -2.1814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2936   -2.8885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1705   -2.8885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.7741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    1.8301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.4501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.4501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6120    1.8301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  4 12  2  0  0  0  0
  5 13  2  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  CHG  3   1   2   6  -1   7  -1
M  END
> <PUBCHEM_COMPOUND_CID>
426756

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
177

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjOAAAAAAAAAAABAAAAABgAAAAAAAkAAAAAAAAAAAAAAAAGgAQCAAADgCAgAAACAAAAgAIAACQCAAAAAAAAAAAAAEAAAAAABYIAAAAQAAFIAAAAACIAAANAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
azanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)

> <PUBCHEM_IUPAC_CAS_NAME>
azanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)

> <PUBCHEM_IUPAC_NAME_MARKUP>
azanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)

> <PUBCHEM_IUPAC_NAME>
azanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
azanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H8O4.2H2N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H2;/q;2*-1;+2

> <PUBCHEM_IUPAC_INCHIKEY>
VSRXQHXAPYXROS-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
371.044501

> <PUBCHEM_MOLECULAR_FORMULA>
C6H12N2O4Pt

> <PUBCHEM_MOLECULAR_WEIGHT>
371.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]

> <PUBCHEM_CACTVS_TPSA>
76.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
371.044501

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  6
1  3  6
1  6  6
1  7  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$