Molecule Editor

Molecule ID: FYI-1004138 Edit

Molecule Structure InChIKey: HQXJXOYLPWCMGL-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC(O)CC(=O)CCc1ccc(O)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004138
FYIcenter.com

 27 27  0  0  0  0  0  0  0  0999 V2000
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    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
   10.9119    2.8000    0.0000 C   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    2.8000    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
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    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    2.8000    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
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   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
   10.9119    4.2000    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
  4  3  1  0  0  0  0
  5  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  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 27 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004138-3D
FYIcenter.com

 65 65  0  0  1  0  0  0  0  0999 V2000
    0.9469   -0.0288    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4645   -0.0357    0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9965   -0.3996   -1.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5196   -0.4057   -1.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0384   -0.7700   -2.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5586   -0.7767   -2.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0744   -1.1367   -4.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5930   -1.1395   -4.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1193   -1.4935   -5.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6398   -1.4990   -5.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1732   -1.8771   -6.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7015   -1.9176   -6.8187 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1991   -2.8419   -5.8566 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2288   -2.2451   -8.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7621   -3.6053   -8.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5981   -4.5428   -7.9130 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4415   -3.7781  -10.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3668   -2.9763  -11.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0872   -3.2470  -12.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7654   -4.2663  -13.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4910   -4.5249  -14.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5336   -3.7662  -15.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3040   -4.0619  -16.5351 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8347   -2.7449  -14.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8729   -1.9124  -15.0651 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4944   -2.0734  -16.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1214   -2.4985  -13.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5765    0.2334    1.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5513   -1.0145   -0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8316   -0.7541    0.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8361    0.9526    0.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8144   -1.1579   -7.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5789   -1.7061  -12.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
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  8  9  1  0  0  0  0
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  9 10  1  0  0  0  0
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 15 16  2  0  0  0  0
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 18 19  1  0  0  0  0
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 18 58  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  2  0  0  0  0
 20 21  2  0  0  0  0
 20 59  1  0  0  0  0
 21 22  1  0  0  0  0
 21 60  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 61  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
 27 65  1  0  0  0  0
M  END
$$$$