Molecule FYI-1002402

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Molecule Summary:

ID: FYI-1002402
Names:
InChIKey: JARKCYVAAOWBJS-UHFFFAOYSA-N
SMILES: CCCCCC=O

Received at FYIcenter.com on: 2023-03-14

Molecule ID: FYI-1002402 Edit

Molecule Structure InChIKey: JARKCYVAAOWBJS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002402
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002402-3D
FYIcenter.com

 19 18  0     0  0  0  0  0  0999 V2000
   -2.9609   -0.9015    0.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1988    0.4684   -0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -0.1630    0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2910   -0.6014    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3094    0.8817    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6789    0.0193   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7017    0.2966   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3029    1.0873   -0.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3177    1.1316    0.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2935   -0.8029    0.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3188   -0.8186   -0.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1811   -1.2306    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1871   -1.2550   -0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2407    1.5011    0.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2112    1.5405   -0.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4441   -0.7632    0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264    0.6530    0.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8337    0.6314   -0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5154    1.0413   -0.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
M  END
$$$$

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2023-04-13, 614👍, 0💬