60139423
  -OEChem-05042417122D

 31 30  0     0  0  0  0  0  0999 V2000
    4.5274   -0.3924    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    5.3364   -0.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183   -0.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.1954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    0.1954    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    5.0274   -1.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -1.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029   -0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518   -0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424    1.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123    1.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    0.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219    1.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328    1.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9260   -0.7886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1287   -0.7886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626   -2.5478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6338   -2.0601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4209   -2.0601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0922   -2.5478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182   -0.6287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365   -0.6287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    2.5186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139    2.5186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.6006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6607    0.6006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088    2.1848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459    2.1848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  CHG  1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
60139423

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
273

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAABAAAAAAAAWJAAAAsQAAAAAAAAFgBgAAAHgAACAAADAjhlgY8gJIIEgCgAzRnRACCgCAxAiAI2CA4ZJgJMOLAkZGEIAhggADJyAcQgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethylene glycol;2-phenylpyridine;platinum

> <PUBCHEM_IUPAC_CAS_NAME>
ethane-1,2-diol;2-phenylpyridine;platinum

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethane-1,2-diol;2-phenylpyridine;platinum

> <PUBCHEM_IUPAC_NAME>
ethane-1,2-diol;2-phenylpyridine;platinum

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethane-1,2-diol;2-phenylpyridine;platinum

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethylene glycol;2-phenylpyridine;platinum

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H8N.C2H6O2.Pt/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;3-1-2-4;/h1-6,8-9H;3-4H,1-2H2;/q-1;;

> <PUBCHEM_IUPAC_INCHIKEY>
XITRRTTXSBGAKF-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
411.067248

> <PUBCHEM_MOLECULAR_FORMULA>
C13H14NO2Pt-

> <PUBCHEM_MOLECULAR_WEIGHT>
411.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C([C-]=C1)C2=CC=CC=N2.C(CO)O.[Pt]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C([C-]=C1)C2=CC=CC=N2.C(CO)O.[Pt]

> <PUBCHEM_CACTVS_TPSA>
53.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
411.067248

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  4  6
1  5  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  17  8
14  16  8
15  17  8
4  10  8
4  8  8
5  11  8
5  9  8
8  12  8
9  13  8

$$$$