Molecule Editor

Molecule ID: FYI-1007641 Edit

Molecule Structure InChIKey: ARUHCMLXGLRWFW-ACCUITESSA-N

Molecule Structure SMILES String: COC(=O)/C(C)=C/C(C)(CCC(C)(CC(C)C(=O)OC)C(=O)OC)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007641
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
   10.9117    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007641-3D
FYIcenter.com

 60 59  0  0  1  0  0  0  0  0999 V2000
    1.1582   -1.3284   -0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3539   -0.5909    0.0622 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6210    0.3973   -0.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9452    0.6655   -1.8137 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9329    1.0438   -0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3780    0.9182    0.9427 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6365    1.5553   -1.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1119    2.0081   -1.6286 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6886    2.4946   -0.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9064    0.8042   -2.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7753   -0.4852   -1.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5232   -1.7640   -1.8845 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0330   -2.1713   -3.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0743   -1.6237   -1.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7906   -1.4231   -0.5489 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3098   -1.5461   -0.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5700   -0.0578    0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5024    0.9858   -0.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5427   -0.1468    1.4248 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5027    1.1183    2.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1371   -2.9310   -0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5577   -4.0727   -1.0517 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2834   -2.5234    0.0386 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8330   -3.5241    0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2820    3.2041   -2.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3815    3.7896   -3.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6111    3.5168   -2.7225 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9364    4.6267   -3.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9464   -1.9430    0.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3030   -1.9906   -1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3079   -0.6584   -0.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5733    0.5990    1.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7017    1.8825    1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1824    0.1832    1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4454   -2.1936    0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7382   -0.6434   -1.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5924   -2.4047   -1.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7798    0.9634    3.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4890    1.5237    2.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0205    4.7569   -3.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4745    5.5430   -3.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6218    4.4323   -4.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
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 15 16  1  0  0  0  0
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 28 60  1  0  0  0  0
M  END
$$$$