Molecule FYI-1006929

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A

Molecule Summary:

ID: FYI-1006929
Names:
InChIKey: KSMVZQYAVGTKIV-UHFFFAOYSA-N
SMILES: CCCCCCCCCC=O

Received at FYIcenter.com on: 2024-01-23

Molecule ID: FYI-1006929 Edit

Molecule Structure InChIKey: KSMVZQYAVGTKIV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCC=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006929
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    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
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  2  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
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006929-3D
FYIcenter.com

 31 30  0     0  0  0  0  0  0999 V2000
    5.3068    1.1170    0.0194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1869   -0.5016    0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1257    0.2870    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3961    0.4349   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3350   -0.6507    0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7374   -0.3036   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763    0.0866    0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9469    0.6316   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8809   -0.8489   -0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2512   -0.1498    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1938   -0.1024   -0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414   -1.1193    0.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2143   -1.1822   -0.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1626    0.9547    0.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1704    0.9179   -0.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3247    1.0709   -0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3704    1.1041    0.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922   -1.2785    0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807   -1.3276   -0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7828   -0.9393   -0.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7878   -0.9736    0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7013    0.7529   -0.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7506    0.7332    0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9365    1.2697   -0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8920    1.2918    0.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8858   -1.5131    0.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8437   -1.4681   -0.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1036    0.5367    0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3502   -0.8012   -0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3043   -0.7709    0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0906   -0.7425   -0.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
M  END
$$$$

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2024-01-31, 1394👍, 0💬