Molecule FYI-1009553

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A

Molecule Summary:

ID: FYI-1009553
Names:
InChIKey: GLDOVTGHNKAZLK-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCO

Received at FYIcenter.com on: 2024-05-15

Molecule ID: FYI-1009553 Edit

Molecule Structure InChIKey: GLDOVTGHNKAZLK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1009553
FYIcenter.com

 19 18  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
    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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009553-3D
FYIcenter.com

 57 56  0  0  0  0  0  0  0  0999 V2000
    1.0306    0.0446    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5442    0.0485    0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0698    1.4601   -0.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5881    1.4685   -0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1007    2.8815   -0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6179    2.8886   -0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1286    4.2992   -0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6456    4.3045   -0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1558    5.7149   -0.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6727    5.7199   -0.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1832    7.1303   -1.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6999    7.1354   -1.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2118    8.5461   -1.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7278    8.5526   -1.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2430    9.9641   -1.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7600    9.9735   -1.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2839   11.3829   -1.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8020   11.3930   -1.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2746   12.7168   -1.9600 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6532   -0.9692    0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6444    0.4065   -0.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6397    0.6907    0.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9192   -0.6181   -0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9143   -0.3352    1.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6933    2.1295    0.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7003    1.8459   -1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9695    0.8062   -0.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626    1.0876    0.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7231    3.5472    0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7278    3.2666   -1.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9967    2.2234   -1.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9920    2.5063    0.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7519    4.9648    0.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7545    4.6827   -1.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0225    3.6401   -1.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0203    3.9199    0.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7801    6.3791   -0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7802    6.1002   -1.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0483    5.0557   -1.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0482    5.3345    0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8071    7.7943   -0.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8071    7.5154   -2.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0754    6.4712   -1.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0754    6.7501   -0.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8349    9.2100   -0.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8349    8.9311   -2.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1041    7.8883   -2.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042    8.1670   -0.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8650   10.6275   -0.7285 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8648   10.3486   -2.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1345    9.3077   -2.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1352    9.5852   -0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9082   12.0591   -0.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9056   11.7810   -2.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1985   10.7482   -2.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1895   11.0410   -0.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9314   13.0114   -2.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 13  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 57  1  0  0  0  0
M  END
$$$$

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2024-05-16, 753👍, 0💬