50937204
  -OEChem-05082405582D

 35 34  0     0  0  0  0  0  0999 V2000
    9.2209    3.3873    0.0000 Ir  0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.1200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.4889    4.3873    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   10.9530    4.3873    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.2690    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0290    5.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0290    7.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9350    5.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9350    6.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3549    3.8873    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   10.0869    3.8873    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    7.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0218    4.4654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0218    7.7746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708    5.2871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708    6.9529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  3 23  3  0  0  0  0
  4 24  3  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 25  1  0  0  0  0
 11 15  1  0  0  0  0
 11 26  1  0  0  0  0
 12 16  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 20 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  CHG  5   2  -1   3   1   4   1  23  -1  24  -1
M  END
> <PUBCHEM_COMPOUND_CID>
50937204

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
322

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAACAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAHgAIAAAADAyBmAAwxsAAAACCAiRCQACCAAAgIgAIiAAHbIgKJiKAkZOAMABkwBEIyAeQwLAOoAABQAASEABAAAKAACQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
carbon monoxide;iridium;1-phenylazonaphthalen-2-olate

> <PUBCHEM_IUPAC_CAS_NAME>
carbon monoxide;iridium;1-phenyldiazenyl-2-naphthalenolate

> <PUBCHEM_IUPAC_NAME_MARKUP>
carbon monoxide;iridium;1-phenyldiazenylnaphthalen-2-olate

> <PUBCHEM_IUPAC_NAME>
carbon monoxide;iridium;1-phenyldiazenylnaphthalen-2-olate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
carbon monoxide;iridium;1-phenyldiazenylnaphthalen-2-olate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
carbon monoxide;iridium;1-phenylazonaphthalen-2-olate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12N2O.2CO.Ir/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;2*1-2;/h1-11,19H;;;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
SSNRRGDULXKBGF-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
496.03989

> <PUBCHEM_MOLECULAR_FORMULA>
C18H11IrN2O3-

> <PUBCHEM_MOLECULAR_WEIGHT>
495.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)[O-].[Ir]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)[O-].[Ir]

> <PUBCHEM_CACTVS_TPSA>
49.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
496.03989

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  14  8
15  16  8
17  18  8
17  19  8
18  20  8
19  21  8
20  22  8
21  22  8
7  11  8
7  8  8
7  9  8
8  10  8
8  12  8
9  13  8

$$$$