Molecule Editor

Molecule ID: FYI-1016642 Edit

Molecule Structure InChIKey: KZHXPXDFMPAKBV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC.CCCCCCCCCC(=O)OCC(O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016642
FYIcenter.com

 21 19  0  0  0  0  0  0  0  0999 V2000
   42.9920    2.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7796    1.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5672    2.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2045    1.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9739    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4682    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  1  4  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  9  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 13  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 18  1  0  0  0  0
 20 19  1  0  0  0  0
  7 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016642-3D
FYIcenter.com

 57 55  0  0  1  0  0  0  0  0999 V2000
    0.8137    0.5787   -1.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    1.0377   -1.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7605    1.9485   -0.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2852    3.3840   -0.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8022   -3.5849    1.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334   -3.1393    0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9411   -1.8393   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4570   -1.7426   -0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137   -2.7467   -1.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5319   -2.5898   -1.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0919   -3.6598   -2.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088   -3.5532   -2.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1759   -4.6371   -3.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6549   -4.4810   -3.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3523   -3.6046   -2.9923 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1109   -5.4090   -4.3953 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3550   -5.0690   -5.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0563   -4.1961   -6.2478 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3477   -3.0043   -5.8834 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3436   -3.8204   -6.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0782   -3.0318   -8.1429 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6442   -0.2436   -2.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213    1.3814   -1.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5668    0.2069   -0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    1.4992   -2.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8591    1.9569   -0.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4933    1.5452    0.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114    3.7914   -1.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8021    4.0062    0.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    3.4667   -0.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2451   -4.4833    2.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6198   -2.8179    2.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.8364    1.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2487   -2.9965    0.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5090   -3.9403   -0.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190   -1.0168    0.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4740   -1.6840   -1.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9630   -1.8412    0.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6997   -0.7288   -0.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5382   -2.5964   -2.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7863   -3.7613   -0.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0112   -2.6790   -0.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7710   -1.5959   -1.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6391   -3.5493   -3.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8208   -4.6557   -1.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0643   -3.6407   -1.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8809   -2.5625   -2.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7093   -4.5534   -4.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -5.6302   -2.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8374   -6.0029   -5.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0290   -4.5678   -4.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3799   -4.7358   -6.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8904   -2.5126   -5.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8804   -4.7182   -7.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0001   -3.2306   -6.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2334   -3.3285   -8.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 45  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 51  1  0  0  0  0
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 18 53  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 57  1  0  0  0  0
M  END
$$$$