Molecule FYI-1002480

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A

Molecule Summary:

ID: FYI-1002480
Names:
InChIKey: SLWSQBQZBNEJJU-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OC(O)CO

Received at FYIcenter.com on: 2023-04-04

Molecule ID: FYI-1002480 Edit

Molecule Structure InChIKey: SLWSQBQZBNEJJU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC(=O)OC(O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1002480
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3798    2.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327    1.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9385    2.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1289    1.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2560    2.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4706    1.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7317    2.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0376    1.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0869    2.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1335    1.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1919    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4935    2.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7469    2.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9138    2.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9252    0.7970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1446    2.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3378    2.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5686    2.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3001    0.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4933    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002480-3D
FYIcenter.com

 58 57  0  0  1  0  0  0  0  0999 V2000
    0.9643    0.0561    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4832    0.0503    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0212   -0.3623    1.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5478   -0.3671    1.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0766   -0.7783    2.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6023   -0.7851    2.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1241   -1.1979    4.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6483   -1.2054    4.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1612   -1.6204    5.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6841   -1.6280    5.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1931   -2.0451    6.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7154   -2.0496    6.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2517   -2.4634    8.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7744   -2.4616    8.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3831   -2.8752    9.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8891   -2.9132    9.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5087   -2.7205    8.5152 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4200   -3.2331   10.7637 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8460   -3.2409   10.8267 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.3509   -1.9426   11.1521 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2353   -4.2157   11.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6499   -4.2677   12.0954 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5924    0.3529   -0.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5691    0.7600    0.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6493    0.3285    2.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9237    0.6311    1.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225   -1.0599    0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7014   -1.7763    3.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7035   -0.0851    3.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9805    0.2126    2.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9785   -1.4784    2.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7466   -2.1959    4.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7475   -0.5054    4.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0279   -0.2075    3.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0273   -1.8978    3.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7821   -2.6187    5.8081 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7805   -0.9287    6.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0644   -0.6296    5.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0663   -2.3186    4.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8157   -3.0444    7.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125   -1.3544    7.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0897   -1.0506    6.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0912   -2.7387    6.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8834   -3.4633    8.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8896   -1.7715    9.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1353   -1.4610    8.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1208   -3.1427    7.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0318   -3.8739    9.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0998   -2.1591   10.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3068   -3.5687    9.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0169   -2.0498   11.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8403   -5.2215   11.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8275   -3.8639   12.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0103   -4.8353   11.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  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
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 11 44  1  0  0  0  0
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 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 48  1  0  0  0  0
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 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
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 15 53  1  0  0  0  0
 16 17  2  0  0  0  0
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 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 58  1  0  0  0  0
M  END
$$$$

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2023-04-26, 627👍, 0💬