Molecule FYI-1001323

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A

Molecule Summary:

ID: FYI-1001323
SMILES: CCCCCCCCC=CCCCCCCCC(=O)O

Received at FYIcenter.com on: 2022-05-17

Molecule ID: FYI-1001323 Edit

Molecule Structure SMILES String: CCCCCCCCC=CCCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001323
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  2  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  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  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001323-3D
FYIcenter.com

 54 53  0  0  0  0  0  0  0  0999 V2000
    1.7315   -0.2708   -2.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0694   -0.2171   -2.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5927    1.2114   -2.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9336    1.2689   -1.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4505    2.6977   -1.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7919    2.7544   -0.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3075    4.1843   -0.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6484    4.2439    0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1634    5.6430    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4726    5.9202    0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9849    7.3223    0.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8354    7.6121   -0.9759 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3517    9.0434   -0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2040    9.3365   -2.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7215   10.7701   -2.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5732   11.0607   -3.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1113   12.4851   -3.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9527   12.7168   -4.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1535   11.8720   -5.4454 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4801   13.9530   -4.6733 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3562   -1.2970   -2.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8266    0.0880   -3.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9957    0.3552   -2.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7873   -0.8654   -2.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602   -0.5993   -1.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8727    1.8609   -1.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7014    1.5941   -3.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6569    0.6225   -1.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8278    0.8918   -0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7290    3.3454   -0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5560    3.0770   -2.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5135    2.1078   -1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6864    2.3741    0.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5794    4.8275   -0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4087    4.5624   -1.5692 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3672    3.5964   -0.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361    3.8707    1.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4415    6.4578    0.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1964    5.1080    0.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5780    7.4692    1.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1452    8.0276    0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2444    7.4604   -1.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6819    6.9153   -1.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9449    9.1969   -0.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5073    9.7425   -0.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6103    9.1800   -3.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    8.6348   -2.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3135   10.9196   -1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8748   11.4656   -2.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9762   10.8932   -4.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4087   10.3495   -3.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7363   12.6505   -2.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2841   13.2017   -3.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2690   14.5621   -3.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  2  3  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 16  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 17  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 18  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-01, 1523👍, 0💬