70680212
  -OEChem-04242420412D

 59 56  0     0  0  0  0  0  0999 V2000
    4.5650   -0.1092    0.0000 Ru  0  2  0  0  0  0  0  0  0  0  0  0
    3.9727   -0.9245    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7560    0.4786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5650   -0.1092    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    5.3740   -0.6970    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.8740    0.8418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3641   -1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9863   -0.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4616   -1.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4669   -1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1830   -0.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5650   -0.1092    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    5.8740    0.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7555   -2.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103   -1.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471   -2.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9773    0.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7968   -1.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3393    1.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4152   -2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1410   -0.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3492    1.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4086    1.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579   -1.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    2.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8948    2.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    2.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3734    0.4804    0.0000 H   0  5  0  0  0  0  0  0  0  0  0  0
    4.4784   -2.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2635   -2.1342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3782   -3.0035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2475   -2.8888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5966   -0.8262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8189   -1.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240   -2.0088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1743   -2.8793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9845   -3.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198   -2.4044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022    0.0166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3885   -0.4928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8978   -1.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5973    0.2458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9717    0.8601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3573    0.2345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1853   -1.7918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6946   -2.5056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4083   -1.9962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7194    1.7286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4776   -2.7823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6384   -0.1480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7326    1.4569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0286    1.7286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8252   -1.8032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    3.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2069    3.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4386    1.8367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3014    2.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    2.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 23  2  0  0  0  0
  4 12  3  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 20  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 30  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  2  0  0  0  0
 13 24  2  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 26  1  0  0  0  0
 20 49  1  0  0  0  0
 21 25  2  0  0  0  0
 21 50  1  0  0  0  0
 22 25  1  0  0  0  0
 22 51  1  0  0  0  0
 23 28  1  0  0  0  0
 23 52  1  0  0  0  0
 24 27  1  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 27  2  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
M  CHG  5   1   2   4   1   5  -1  12  -1  29  -1
M  END
> <PUBCHEM_COMPOUND_CID>
70680212

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
566

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAIAAAAAACAAAAAAAAAAAWIAAAAsQAAAAAAQAFgBgAAAHggAAAAADAjplgY+gJIIECCoATx3xACCgCAxAiAI2CA4ZJgIYOLAkZGUIAhggADIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
acetaldehyde;carbon monoxide;ditert-butyl-[(Z)-[6-(2-pyridyl)pyridin-1-id-2-ylidene]methyl]phosphane;hydride;ruthenium(2+)

> <PUBCHEM_IUPAC_CAS_NAME>
acetaldehyde;carbon monoxide;ditert-butyl-[(Z)-[6-(2-pyridinyl)-2-pyridin-1-idylidene]methyl]phosphine;hydride;ruthenium(2+)

> <PUBCHEM_IUPAC_NAME_MARKUP>
acetaldehyde;carbon monoxide;di<I>tert</I>-butyl-[(<I>Z</I>)-(6-pyridin-2-ylpyridin-1-id-2-ylidene)methyl]phosphane;hydride;ruthenium(2+)

> <PUBCHEM_IUPAC_NAME>
acetaldehyde;carbon monoxide;ditert-butyl-[(Z)-(6-pyridin-2-ylpyridin-1-id-2-ylidene)methyl]phosphane;hydride;ruthenium(2+)

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
carbon monoxide;ditert-butyl-[(Z)-(6-pyridin-2-ylpyridin-1-id-2-ylidene)methyl]phosphane;ethanal;hydride;ruthenium(2+)

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acetaldehyde;carbon monoxide;ditert-butyl-[(Z)-[6-(2-pyridyl)pyridin-1-id-2-ylidene]methyl]phosphine;hydride;ruthenium(2+)

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H26N2P.C2H4O.CO.Ru.H/c1-18(2,3)22(19(4,5)6)14-15-10-9-12-17(21-15)16-11-7-8-13-20-16;1-2-3;1-2;;/h7-14H,1-6H3;2H,1H3;;;/q-1;;;+2;-1/b15-14-;;;;

> <PUBCHEM_IUPAC_INCHIKEY>
NEEVMDQDORPJJB-ZCEPSRIMSA-N

> <PUBCHEM_EXACT_MASS>
488.116656

> <PUBCHEM_MOLECULAR_FORMULA>
C22H31N2O2PRu

> <PUBCHEM_MOLECULAR_WEIGHT>
487.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
[H-].CC=O.CC(C)(C)P(C=C1C=CC=C([N-]1)C2=CC=CC=N2)C(C)(C)C.[C-]#[O+].[Ru+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[H-].CC=O.CC(C)(C)P(/C=C\1/C=CC=C([N-]1)C2=CC=CC=N2)C(C)(C)C.[C-]#[O+].[Ru+2]

> <PUBCHEM_CACTVS_TPSA>
32

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
488.116656

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
5

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  12  6
1  2  6
1  29  6
1  3  6
1  5  6
1  6  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  24  8
20  26  8
24  27  8
26  27  8
6  13  8
6  20  8

$$$$