4563762
  -OEChem-04252406372D

 37 36  0     0  0  0  0  0  0999 V2000
    4.5961   -0.6771    0.0000 Ir  0  1  0  0  0  0  0  0  0  0  0  0
    5.5022   -1.1909    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.6028   -2.4130    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.5961   -0.6848    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.5961    0.3645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    0.8784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2461    1.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0995   -1.5450    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.5961   -0.6809    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    9.0382    0.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    1.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1441    2.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0462    1.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    1.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8184   -1.7242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1984   -1.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.7763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651   -0.9663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7056    2.1890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5715    0.5344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617   -0.2488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2740    2.1758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1418    3.0330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5844    2.2001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    2.9912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681    2.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 15  3  0  0  0  0
  4 16  3  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 13  2  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 28  1  0  0  0  0
 14 20  1  0  0  0  0
 14 29  1  0  0  0  0
 17 21  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  1  0  0  0  0
 18 31  1  0  0  0  0
 19 23  2  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  2  0  0  0  0
 22 35  1  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  CHG  6   1   3   2   1   3   1   4   1  15  -1  16  -1
M  END
> <PUBCHEM_COMPOUND_CID>
4563762

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
407

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAACAAAAAAAAAAAAAAwYMEAAAAAAADBVAAAHgAICAAADAyBmAAwxsAAAgCCAiRCQACCAAAgIgAIiAAHbIgKJiKSkZOAcABkwBEI2AeQwLAOoAABQAASEABAAAKAACQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
carbon monoxide;iridium(3+);(1-phenylazo-2-naphthyl)oxonium

> <PUBCHEM_IUPAC_CAS_NAME>
carbon monoxide;iridium(3+);(1-phenyldiazenyl-2-naphthalenyl)oxonium

> <PUBCHEM_IUPAC_NAME_MARKUP>
carbon monoxide;iridium(3+);(1-phenyldiazenylnaphthalen-2-yl)oxidanium

> <PUBCHEM_IUPAC_NAME>
carbon monoxide;iridium(3+);(1-phenyldiazenylnaphthalen-2-yl)oxidanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
carbon monoxide;iridium(3+);(1-phenyldiazenylnaphthalen-2-yl)oxidanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
carbon monoxide;iridium(3+);(1-phenylazo-2-naphthyl)oxonium

> <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;;;/q;;;+3/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
FIHWOAPFAZTFAF-UHFFFAOYSA-O

> <PUBCHEM_EXACT_MASS>
498.05554

> <PUBCHEM_MOLECULAR_FORMULA>
C18H13IrN2O3+4

> <PUBCHEM_MOLECULAR_WEIGHT>
497.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)[OH2+].[Ir+3]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)[OH2+].[Ir+3]

> <PUBCHEM_CACTVS_TPSA>
27.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
498.05554

> <PUBCHEM_TOTAL_CHARGE>
4

> <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_NONSTANDARDBOND>
1  15  6
1  16  6
1  2  6
1  5  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  13  8
11  17  8
12  18  8
12  19  8
14  20  8
17  21  8
18  22  8
19  23  8
20  21  8
22  24  8
23  24  8
7  10  8
7  8  8
8  9  8
9  11  8
9  14  8

$$$$