11072085
  -OEChem-05142410412D

 63 66  0     0  0  0  0  0  0999 V2000
    7.2641    1.7327    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6222    1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6222    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5282    1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5282    2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    3.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6150    0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6150    3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    3.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    3.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0640    1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0640    3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -1.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -1.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -1.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -1.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -3.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -3.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -3.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -3.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
  4  6  1  0  0  0  0
  4 12  2  0  0  0  0
  5  7  1  0  0  0  0
  5 13  2  0  0  0  0
  6 28  1  0  0  0  0
  6 52  1  0  0  0  0
  7 29  1  0  0  0  0
  7 53  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  2  0  0  0  0
 10 16  1  0  0  0  0
 10 20  2  0  0  0  0
 11 17  1  0  0  0  0
 11 21  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 22  2  0  0  0  0
 16 40  1  0  0  0  0
 17 23  2  0  0  0  0
 17 41  1  0  0  0  0
 18 24  1  0  0  0  0
 18 42  1  0  0  0  0
 19 25  1  0  0  0  0
 19 43  1  0  0  0  0
 20 26  1  0  0  0  0
 20 44  1  0  0  0  0
 21 27  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 26  2  0  0  0  0
 24 48  1  0  0  0  0
 25 27  2  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 29 31  2  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 30 54  1  0  0  0  0
 31 35  1  0  0  0  0
 31 55  1  0  0  0  0
 32 36  2  0  0  0  0
 32 56  1  0  0  0  0
 33 37  2  0  0  0  0
 33 57  1  0  0  0  0
 34 38  2  0  0  0  0
 34 58  1  0  0  0  0
 35 39  2  0  0  0  0
 35 59  1  0  0  0  0
 36 38  1  0  0  0  0
 36 60  1  0  0  0  0
 37 39  1  0  0  0  0
 37 61  1  0  0  0  0
 38 62  1  0  0  0  0
 39 63  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11072085

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
870

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB/sAAAAAAAAAgAAAAAAAAAAAAAAAAwYMGCAAAAAACBVAAAHgAYAAAADAyBmAAwwIBiAACoA6RyQACSBAAgAgAYiAEgZNgIILKAlZGAIABgmAAIyYcYiICOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
palladium;(1Z)-1-(phenylhydrazono)naphthalen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
palladium;(1Z)-1-(phenylhydrazinylidene)-2-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
palladium;(1<I>Z</I>)-1-(phenylhydrazinylidene)naphthalen-2-one

> <PUBCHEM_IUPAC_NAME>
palladium;(1Z)-1-(phenylhydrazinylidene)naphthalen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
palladium;(1Z)-1-(phenylhydrazinylidene)naphthalen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
palladium;(1Z)-1-(phenylhydrazono)naphthalen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C16H12N2O.Pd/c2*19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;/h2*1-11,17H;/b2*18-16-;

> <PUBCHEM_IUPAC_INCHIKEY>
HKOYMXXFZLAPAJ-UBVSDVRDSA-N

> <PUBCHEM_EXACT_MASS>
602.09341

> <PUBCHEM_MOLECULAR_FORMULA>
C32H24N4O2Pd

> <PUBCHEM_MOLECULAR_WEIGHT>
603.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32.C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32.[Pd]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)N/N=C\2/C3=CC=CC=C3C=CC2=O.C1=CC=C(C=C1)N/N=C\2/C3=CC=CC=C3C=CC2=O.[Pd]

> <PUBCHEM_CACTVS_TPSA>
82.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
602.09341

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
39

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <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

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  20  8
11  21  8
18  24  8
19  25  8
20  26  8
21  27  8
24  26  8
25  27  8
28  30  8
28  32  8
29  31  8
29  33  8
30  34  8
31  35  8
32  36  8
33  37  8
34  38  8
35  39  8
36  38  8
37  39  8
8  10  8
8  18  8
9  11  8
9  19  8

$$$$