Compound 44
  CheckMol                        TMF02:r0:m0
MF=C36H72O2 MW=536.96
 38 37  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4909   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3253   -2.2246   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2779   -2.2246   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6387   -1.4673   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5677   -1.4673   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9521   -2.2009   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8575   -2.2009   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2656   -1.4436   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1472   -1.4436   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5790   -2.1772   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4370   -2.1772   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8924   -1.4199   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7268   -1.4199   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2059   -2.1536   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0165   -2.1536   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5193   -1.3963   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3063   -1.3963   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8327   -2.1299   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5961   -2.1299   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1462   -1.3726   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8859   -1.3726   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4596   -2.1062   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1756   -2.1062   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7730   -1.3489   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4654   -1.3489   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0865   -2.0826   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7552   -2.0826   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3999   -1.3253   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0449   -1.3253   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7133   -2.0589   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3347   -2.0589   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.0268   -1.3016   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6245   -1.3016   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3402   -2.0352   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9142   -2.0352   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.6536   -1.2779   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.9671   -2.0116   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END

2D Structure

Stearyl Stearate

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Chemical Name - Stearyl Stearate
Mol Weight - 536.966
Smiles - CCCCCCCCCCCCCCCCCCOC(CCCCCCCCCCCCCCCCC)=O

Property Name	Property Value
Mol Name	Stearyl Stearate
Molweight	536.966
Monoisotopic Mass	536.55323
Clogp	15.076
Clogs	-9.527
H Acceptors	2
Total Surface Area	519.85
Relative Psa	0.04432
Polar Surface Area	26.3
Druglikeness	-30.202
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.97368
Molecular Flexibility	0.54516
Molecular Complexity	0.51585
Fragments	1
Non H Atoms	38
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	34
Sp3 Atoms	36
Smiles	CCCCCCCCCCCCCCCCCCOC(CCCCCCCCCCCCCCCCC)=O
InChIKey	InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChI	NKBWPOSQERPBFI-UHFFFAOYSA-N

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1 — Stearyl Stearate | 2 — Stearyl Stearate