49763120
  -OEChem-04192402022D

103100  0     0  0  0  0  0  0999 V2000
   12.9292   -2.7500    0.0000 Sr  0  2  0  0  0  0  0  0  0  0  0  0
   12.0632   -2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.7953   -2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.1972   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9914   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8574   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7235   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5895   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4555    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4555   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5895    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4555    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4555   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5895    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3215    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3215   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7235    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7269   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5239   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3899   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5929   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6579   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8608   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4589   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2560   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9948   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7919   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1220   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3249   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9258   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1288   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5895   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6676    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9925   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9789    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3774    1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8449    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2435    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2435   -0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8449   -1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2001    3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8015    3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8585    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8585   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0335    4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4135    3.2131    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>
49763120

> <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>
AAADcfB8OAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAACCAAAAACIACDSCAAAAAAgAAAICAEAAAgAABIAAQAAAAAEgAAIAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
strontium;(9Z,12Z)-octadeca-9,12-dienoate

> <PUBCHEM_IUPAC_CAS_NAME>
strontium;(9Z,12Z)-octadeca-9,12-dienoate

> <PUBCHEM_IUPAC_NAME_MARKUP>
strontium;(9<I>Z</I>,12<I>Z</I>)-octadeca-9,12-dienoate

> <PUBCHEM_IUPAC_NAME>
strontium;(9Z,12Z)-octadeca-9,12-dienoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
strontium;(9Z,12Z)-octadeca-9,12-dienoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
strontium;(9Z,12Z)-octadeca-9,12-dienoate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C18H32O2.Sr/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>
CCDFZCWEAOWUMY-GRVYQHKQSA-L

> <PUBCHEM_EXACT_MASS>
646.37042271

> <PUBCHEM_MOLECULAR_FORMULA>
C36H62O4Sr

> <PUBCHEM_MOLECULAR_WEIGHT>
646.5

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

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

> <PUBCHEM_CACTVS_TPSA>
80.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
646.37042271

> <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

$$$$