Compound 2
  CheckMol                        TMF02:r0:m0
MF=C36H70CaO6 MW=639.03
 43 40  0  0  1               999 V2000
    0.0000   -0.0000   -0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3636   -2.4582   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1318   -1.1464   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3991    0.1655   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6445   -1.1345   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4009   -2.4227   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9136   -2.4109   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6699   -3.6991   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1827   -3.6872   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9390   -4.9754   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4517   -4.9636   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2081   -6.2518   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7208   -6.2400   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4772   -4.9281   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9899   -4.9163   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7462   -6.2045   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7462   -3.6045   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2589   -3.5927   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0153   -2.2809   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.5280   -2.2691   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.2962   -0.9573   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.8089   -0.9454   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1745    2.6473   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9073    1.3591   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1509    0.0709   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3963    1.3709   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1291    2.6827   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6181    2.6945   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3509    4.0063   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8399    4.0182   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5727    5.3300   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0617    5.3418   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7945    6.6536   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2835    6.6654   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0281    5.3772   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5172    5.3890   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2499    6.7009   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2499    4.1009   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7390    4.1127   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4717    2.8245   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9608    2.8363   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7053    1.5482   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1944    1.5600   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  6  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  CHG  1   1   2
M  CHG  1   4  -1
M  CHG  1  25  -1
M  END

2D Structure

Calcium Ricinoleate

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Chemical Name - Calcium Ricinoleate
Mol Weight - 297.457
Smiles - CCCCCC[C@H](C/C=CCCCCCCCC([O-])=O)O.CCCCCC[C@H](C/C=CCCCCCCCC([O-])=O)O.[Ca+2]

Property Name	Property Value
Mol Name	Calcium Ricinoleate
Molweight	297.457
Monoisotopic Mass	297.24297
Clogp	3.6213
Clogs	-4.152
H Acceptors	3
H Donors	1
Total Surface Area	275.27
Relative Psa	0.14684
Polar Surface Area	60.36
Druglikeness	-23.178
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.90476
Molecular Flexibility	0.66262
Molecular Complexity	0.43493
Fragments	3
Non H Atoms	21
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	1
Rotatable Bonds	15
Sp3 Atoms	17
Acidic Oxygens	1
Smiles	CCCCCC[C@H](C/C=CCCCCCCCC([O-])=O)O.CCCCCC[C@H](C/C=CCCCCCCCC([O-])=O)O.[Ca+2]
InChIKey
InChI	Ca.C18H33O3.C18H33O3

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1 — Calcium Ricinoleate | 2 — Calcium Ricinoleate