60139429
  -OEChem-05052414542D

 31 30  0     0  0  0  0  0  0999 V2000
    4.1095   -0.6609    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    4.9185   -1.2487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3004   -1.2487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3064   -0.0705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9185   -0.0731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3004   -0.0731    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.6095    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6095   -2.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6095   -2.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6095    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9339   -0.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2944    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8037    1.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3149    1.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6368    0.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9812    2.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5081   -1.0571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7108   -1.0571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446   -2.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2159   -2.3286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0030   -2.3286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6743   -2.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1186   -0.8972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0960    2.2501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8026    2.0802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2428    0.3321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    1.0668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4436    1.7866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3943    2.6621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5189    2.6128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 24  1  0  0  0  0
 12 14  2  0  0  0  0
 12 25  1  0  0  0  0
 13 16  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  CHG  1   6  -1
M  END
> <PUBCHEM_COMPOUND_CID>
60139429

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
254

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAABAAAAAAAASIEAAAsAAAAAAAQAEABgAAAHgAACAAADAjhngY+gJIIFgCgAzRnRACCiCAxIiAI2CA4ZJgJMGLAkZGEIAhggADJyAcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethylene glycol;2-(2H-furan-2-id-3-yl)-4-methyl-pyridine;platinum

> <PUBCHEM_IUPAC_CAS_NAME>
ethane-1,2-diol;2-(2H-furan-2-id-3-yl)-4-methylpyridine;platinum

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethane-1,2-diol;2-(2<I>H</I>-furan-2-id-3-yl)-4-methylpyridine;platinum

> <PUBCHEM_IUPAC_NAME>
ethane-1,2-diol;2-(2H-furan-2-id-3-yl)-4-methylpyridine;platinum

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethane-1,2-diol;2-(2H-furan-2-id-3-yl)-4-methyl-pyridine;platinum

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethylene glycol;2-(2H-furan-2-id-3-yl)-4-methyl-pyridine;platinum

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8NO.C2H6O2.Pt/c1-8-2-4-11-10(6-8)9-3-5-12-7-9;3-1-2-4;/h2-6H,1H3;3-4H,1-2H2;/q-1;;

> <PUBCHEM_IUPAC_INCHIKEY>
YIMJOHJIFPDGAM-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
415.062163

> <PUBCHEM_MOLECULAR_FORMULA>
C12H14NO3Pt-

> <PUBCHEM_MOLECULAR_WEIGHT>
415.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=NC=C1)C2=[C-]OC=C2.C(CO)O.[Pt]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=NC=C1)C2=[C-]OC=C2.C(CO)O.[Pt]

> <PUBCHEM_CACTVS_TPSA>
62.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
415.062163

> <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  5  6
1  6  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  15  8
12  14  8
13  16  8
14  15  8
4  16  8
4  6  8
5  11  8
5  7  8
6  10  8
7  12  8

$$$$