Molecule FYI-1007074

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A

Molecule Summary:

ID: FYI-1007074
Names:
InChIKey: CATSNJVOTSVZJV-UHFFFAOYSA-N
SMILES: CCCCCC(C)=O

Received at FYIcenter.com on: 2024-01-29

Molecule ID: FYI-1007074 Edit

Molecule Structure InChIKey: CATSNJVOTSVZJV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007074
FYIcenter.com

  8  7  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
    6.0621    2.1000    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  2  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007074-3D
FYIcenter.com

 22 21  0     0  0  0  0  0  0999 V2000
   -2.2820   -1.2917    0.0115 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6347    0.4676   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2981   -0.2792   -0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8128   -0.5060    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.6658   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1422    0.2300    0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2278   -0.0617   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4785    0.7753    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7089    1.1001   -0.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6753    1.1319    0.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534   -0.9383   -0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2407   -0.9292    0.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7296   -1.1541    0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7916   -1.1544   -0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8863    1.2741   -0.9679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505    1.3360    0.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2081    0.8615    0.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9704   -0.4849    0.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2717    0.8654   -0.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4729    1.3739    0.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5257    1.4256   -0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3580    0.1256    0.0662 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  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
$$$$

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2024-02-11, 215👍, 0💬