Molecule FYI-1004193

Home > Molecule

A

Molecule Summary:

ID: FYI-1004193
Names:
InChIKey: AUIMAABRHNGVTI-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCNCCCNCCO

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004193 Edit

Molecule Structure InChIKey: AUIMAABRHNGVTI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCNCCCNCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1004193
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   30.3109    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    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
   16.9740    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
   14.5493    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   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
    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  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  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
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004193-3D
FYIcenter.com

 76 75  0  0  0  0  0  0  0  0999 V2000
    0.8943    0.0452    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113    0.0383    0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9393   -1.1510    0.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4602   -1.1593    0.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9757   -2.3502    1.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4950   -2.3573    1.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067   -3.5482    2.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5261   -3.5558    2.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0357   -4.7447    3.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5512   -4.7526    3.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0650   -5.9406    4.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5819   -5.9460    4.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0934   -7.1367    4.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6115   -7.1432    4.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1231   -8.3363    5.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6409   -8.3464    5.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1602   -9.5354    6.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6794   -9.5290    6.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1702  -10.6730    7.1615 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6247  -10.6717    7.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1288  -11.8676    7.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6525  -11.8596    7.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1454  -13.0131    8.7427 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.6132  -13.0268    8.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1374  -14.2219    9.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7144  -15.4601    8.9795 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5206    0.9000   -0.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5038    0.1131    1.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5039   -0.8702   -0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7813    0.9723    0.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7814   -0.0059   -0.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5679   -2.0853    0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656   -1.1080    1.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375   -0.2293    1.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8398   -1.2070   -0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6026   -3.2830    1.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6002   -2.3056    2.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8710   -1.4270    2.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8734   -2.4028    0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6317   -4.4798    1.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6316   -3.5032    3.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9010   -2.6237    2.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9010   -3.6003    1.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6571   -5.6733    2.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6576   -4.6989    4.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9297   -3.8192    3.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9289   -4.7960    2.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6886   -6.8718    3.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6885   -5.8952    5.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9577   -5.0149    4.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9582   -5.9911    2.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7170   -8.0674    4.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7168   -7.0913    5.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9867   -6.2125    5.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9873   -7.1860    3.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7481   -9.2656    5.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7447   -8.2932    6.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0156   -7.4116    6.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0180   -8.3876    4.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7812  -10.4690    5.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7837   -9.4898    7.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0360   -8.5980    6.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0490   -9.5653    5.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8337  -11.5403    6.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9973   -9.7472    7.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0132  -10.7231    6.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7574  -12.8001    7.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7450  -11.8236    9.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0137  -10.9278    8.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0236  -11.9069    6.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7903  -13.8516    8.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9939  -12.1050    9.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9882  -13.0870    7.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7909  -14.1839   10.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2310  -14.2162    9.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7420  -15.4431    9.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  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 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 12 13  1  0  0  0  0
 12 50  1  0  0  0  0
 12 51  1  0  0  0  0
 13 14  1  0  0  0  0
 13 52  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 16  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  1  0  0  0  0
 16 17  1  0  0  0  0
 16 58  1  0  0  0  0
 16 59  1  0  0  0  0
 17 18  1  0  0  0  0
 17 60  1  0  0  0  0
 17 61  1  0  0  0  0
 18 19  1  0  0  0  0
 18 62  1  0  0  0  0
 18 63  1  0  0  0  0
 19 20  1  0  0  0  0
 19 64  1  0  0  0  0
 20 21  1  0  0  0  0
 20 65  1  0  0  0  0
 20 66  1  0  0  0  0
 21 22  1  0  0  0  0
 21 67  1  0  0  0  0
 21 68  1  0  0  0  0
 22 23  1  0  0  0  0
 22 69  1  0  0  0  0
 22 70  1  0  0  0  0
 23 24  1  0  0  0  0
 23 71  1  0  0  0  0
 24 25  1  0  0  0  0
 24 72  1  0  0  0  0
 24 73  1  0  0  0  0
 25 26  1  0  0  0  0
 25 74  1  0  0  0  0
 25 75  1  0  0  0  0
 26 76  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 1843👍, 0💬