60139341
  -OEChem-05122405082D

 56 56  0     0  0  0  0  0  0999 V2000
    6.3172    0.3185    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    7.1263   -0.2693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5082   -0.2693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4512   -0.1815    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    7.1833   -0.1815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5082    0.9063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1263    0.9063    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.8172   -1.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8172   -1.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8172    1.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8172    1.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4512   -1.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1833   -1.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4928    0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417    0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3172   -1.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1323    2.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5022    2.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7899    1.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5852   -1.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8446    1.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1118    2.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0933   -1.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5227    2.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3012   -2.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1013   -2.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7322    1.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1992   -3.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983    3.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3353    3.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6520   -0.5978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9824   -0.5978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9143    0.1285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7202    0.1285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7524   -1.8370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4237   -1.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2108   -1.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8820   -1.8370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080    0.0822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3264    0.0822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3307    3.2295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    3.2295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2752   -1.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482   -1.9915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8952   -2.2184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4506    1.3115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6266   -1.3722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9358    2.8957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7607   -3.0268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6394   -3.0379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5474    0.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1968   -3.8708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    3.8382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    1.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9222    3.4957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  2 32  1  0  0  0  0
  3  9  1  0  0  0  0
  3 33  1  0  0  0  0
  4 12  2  0  0  0  0
  4 34  1  0  0  0  0
  5 13  1  0  0  0  0
  5 35  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  2  0  0  0  0
  7 11  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 16  1  0  0  0  0
 13 23  2  0  0  0  0
 14 19  1  0  0  0  0
 14 40  1  0  0  0  0
 15 21  1  0  0  0  0
 15 41  1  0  0  0  0
 16 25  2  0  0  0  0
 17 22  1  0  0  0  0
 17 42  1  0  0  0  0
 18 24  1  0  0  0  0
 18 43  1  0  0  0  0
 19 22  1  0  0  0  0
 19 27  2  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 24  2  0  0  0  0
 21 47  1  0  0  0  0
 22 29  2  0  0  0  0
 23 26  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 28  1  0  0  0  0
 25 50  1  0  0  0  0
 26 28  2  0  0  0  0
 26 51  1  0  0  0  0
 27 30  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 31  1  0  0  0  0
 29 54  1  0  0  0  0
 30 31  2  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
M  CHG  2   4   1   7  -1
M  END
> <PUBCHEM_COMPOUND_CID>
60139341

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
602

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAABAAAAAAAAWJAAAA8YIECAAAAAFix9AAAHgAACAAADAzhngY+htIIEgCoA7R3RACCgCA1IiAI2CE+bNgJNvbClZOEcUhk4BHJ2YeYyOCOgAAAAAAYAAAAAAAAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethylene glycol;1-(2-hydroxyphenyl)ethylideneoxonium;3-phenylisoquinoline;platinum

> <PUBCHEM_IUPAC_CAS_NAME>
ethane-1,2-diol;1-(2-hydroxyphenyl)ethylideneoxonium;3-phenylisoquinoline;platinum

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethane-1,2-diol;1-(2-hydroxyphenyl)ethylideneoxidanium;3-phenylisoquinoline;platinum

> <PUBCHEM_IUPAC_NAME>
ethane-1,2-diol;1-(2-hydroxyphenyl)ethylideneoxidanium;3-phenylisoquinoline;platinum

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethane-1,2-diol;1-(2-hydroxyphenyl)ethylideneoxidanium;3-phenylisoquinoline;platinum

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethylene glycol;1-(2-hydroxyphenyl)ethylideneoxonium;3-phenylisoquinoline;platinum

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10N.C8H8O2.C2H6O2.Pt/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-6(9)7-4-2-3-5-8(7)10;3-1-2-4;/h1-6,8-11H;2-5,10H,1H3;3-4H,1-2H2;/q-1;;;/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
OXQLCXXFTRXQMP-UHFFFAOYSA-O

> <PUBCHEM_EXACT_MASS>
598.143153

> <PUBCHEM_MOLECULAR_FORMULA>
C25H25NO4Pt

> <PUBCHEM_MOLECULAR_WEIGHT>
598.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=[OH+])C1=CC=CC=C1O.C1=CC=C([C-]=C1)C2=CC3=CC=CC=C3C=N2.C(CO)O.[Pt]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=[OH+])C1=CC=CC=C1O.C1=CC=C([C-]=C1)C2=CC3=CC=CC=C3C=N2.C(CO)O.[Pt]

> <PUBCHEM_CACTVS_TPSA>
74.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
598.143153

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  4  6
1  5  6
1  6  6
1  7  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  17  8
11  18  8
13  16  8
13  23  8
14  19  8
15  21  8
16  25  8
17  22  8
18  24  8
19  22  8
19  27  8
21  24  8
22  29  8
23  26  8
25  28  8
26  28  8
27  30  8
29  31  8
30  31  8
6  10  8
6  14  8
7  11  8
7  15  8

$$$$