71299766
  -OEChem-05152403482D

103100  0     0  0  0  0  0  0999 V2000
   18.4545   -0.0600    0.0000 Pb  0  2  0  0  0  0  0  0  0  0  0  0
   19.3205    0.4400    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.5885    0.4400    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   20.1865   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6506   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5167    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7846    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3827   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9186   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2487    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1147   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3109   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9808    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1769    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4449    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8468   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0429   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5788   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7128    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9090    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2521   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0492   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9152    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1181    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1831    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3861    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9842   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7812   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5201   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3171   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6472    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8502    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4511    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6540    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4579    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1147   -0.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.9124   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.7094   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.9808    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.5754    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.7784    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.8434    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.0463    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.4483   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2453   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.6444   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.4415   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.5788   -0.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.7128    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.2190   -0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.4459    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.5990    0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 30  2  0  0  0  0
  5 31  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 44  1  0  0  0  0
  7 45  1  0  0  0  0
  8 12  1  0  0  0  0
  8 46  1  0  0  0  0
  8 47  1  0  0  0  0
  9 13  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 14  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 15  1  0  0  0  0
 11 52  1  0  0  0  0
 11 53  1  0  0  0  0
 12 16  1  0  0  0  0
 12 54  1  0  0  0  0
 12 55  1  0  0  0  0
 13 17  1  0  0  0  0
 13 56  1  0  0  0  0
 13 57  1  0  0  0  0
 14 18  1  0  0  0  0
 14 58  1  0  0  0  0
 14 59  1  0  0  0  0
 15 19  1  0  0  0  0
 15 60  1  0  0  0  0
 15 61  1  0  0  0  0
 16 20  1  0  0  0  0
 16 62  1  0  0  0  0
 16 63  1  0  0  0  0
 17 21  1  0  0  0  0
 17 64  1  0  0  0  0
 17 65  1  0  0  0  0
 18 30  1  0  0  0  0
 18 66  1  0  0  0  0
 18 67  1  0  0  0  0
 19 31  1  0  0  0  0
 19 68  1  0  0  0  0
 19 69  1  0  0  0  0
 20 24  2  0  0  0  0
 20 70  1  0  0  0  0
 21 25  2  0  0  0  0
 21 71  1  0  0  0  0
 22 26  1  0  0  0  0
 22 28  1  0  0  0  0
 22 72  1  0  0  0  0
 22 73  1  0  0  0  0
 23 27  1  0  0  0  0
 23 29  1  0  0  0  0
 23 74  1  0  0  0  0
 23 75  1  0  0  0  0
 24 32  1  0  0  0  0
 24 76  1  0  0  0  0
 25 33  1  0  0  0  0
 25 77  1  0  0  0  0
 26 34  1  0  0  0  0
 26 78  1  0  0  0  0
 26 79  1  0  0  0  0
 27 35  1  0  0  0  0
 27 80  1  0  0  0  0
 27 81  1  0  0  0  0
 28 36  1  0  0  0  0
 28 82  1  0  0  0  0
 28 83  1  0  0  0  0
 29 37  1  0  0  0  0
 29 84  1  0  0  0  0
 29 85  1  0  0  0  0
 32 38  1  0  0  0  0
 32 86  1  0  0  0  0
 32 87  1  0  0  0  0
 33 39  1  0  0  0  0
 33 88  1  0  0  0  0
 33 89  1  0  0  0  0
 34 40  1  0  0  0  0
 34 90  1  0  0  0  0
 34 91  1  0  0  0  0
 35 41  1  0  0  0  0
 35 92  1  0  0  0  0
 35 93  1  0  0  0  0
 36 38  2  0  0  0  0
 36 94  1  0  0  0  0
 37 39  2  0  0  0  0
 37 95  1  0  0  0  0
 38 96  1  0  0  0  0
 39 97  1  0  0  0  0
 40 98  1  0  0  0  0
 40 99  1  0  0  0  0
 40100  1  0  0  0  0
 41101  1  0  0  0  0
 41102  1  0  0  0  0
 41103  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
71299766

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
261

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
26

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8OAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAACCAAAAACIACDSCAAAAAAgAAAICAEAAAgAABIAAQAAAAAEgAAIAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
plumbous;(9E,12E)-octadeca-9,12-dienoate

> <PUBCHEM_IUPAC_CAS_NAME>
lead(2+);(9E,12E)-octadeca-9,12-dienoate

> <PUBCHEM_IUPAC_NAME_MARKUP>
lead(2+);(9<I>E</I>,12<I>E</I>)-octadeca-9,12-dienoate

> <PUBCHEM_IUPAC_NAME>
lead(2+);(9E,12E)-octadeca-9,12-dienoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
lead(2+);(9E,12E)-octadeca-9,12-dienoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
plumbous;(9E,12E)-octadeca-9,12-dienoate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C18H32O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*7-6+,10-9+;

> <PUBCHEM_IUPAC_INCHIKEY>
DGTMIDXVFLADCI-QHZHXWOHSA-L

> <PUBCHEM_EXACT_MASS>
766.44146

> <PUBCHEM_MOLECULAR_FORMULA>
C36H62O4Pb

> <PUBCHEM_MOLECULAR_WEIGHT>
766

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC=CCC=CCCCCCCCC(=O)[O-].CCCCCC=CCC=CCCCCCCCC(=O)[O-].[Pb+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].[Pb+2]

> <PUBCHEM_CACTVS_TPSA>
80.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
766.44146

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
41

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$