Molecule Editor

Molecule ID: FYI-1007611 Edit

Molecule Structure InChIKey: TZIPMXCFRBVMIO-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(CC(CCC(=O)OCCCC)C(=O)OCCCC)C(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007611
FYIcenter.com

 27 26  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  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  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  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 17  1  0  0  0  0
 19 11  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007611-3D
FYIcenter.com

 63 62  0  0  1  0  0  0  0  0999 V2000
    2.5844   -0.0750    1.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3530   -0.1972    0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0410    0.6814   -0.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1376    1.5268   -1.8053 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2705    2.5211   -1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3297    3.4320   -1.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6229    2.7260   -2.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7324    1.5212   -2.8955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2841    3.6684   -3.4809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    3.3962   -4.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7008    3.1557   -5.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6452    2.9852   -6.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0107    2.7354   -7.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9662    2.1957   -2.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4858    2.8178   -3.8463 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2876    1.9215   -2.7861 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9183    1.4713   -3.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417    2.4044   -4.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7439    1.8473   -5.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8687    2.7488   -6.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5576   -1.3830   -0.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8976   -2.0879    0.4506 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8524   -1.6601   -1.5930 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9528   -3.0555   -1.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7663   -3.5835   -2.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0237   -5.0479   -3.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1078   -5.6645   -3.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1594   -0.7690    2.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7391    1.3540   -0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4921    0.8225   -2.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6581    1.9589   -0.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9213    4.1392   -2.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7559    2.5227   -3.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9504   -5.1241   -3.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2584   -5.1306   -4.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
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 25 26  1  0  0  0  0
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 26 27  1  0  0  0  0
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 27 63  1  0  0  0  0
M  END
$$$$