Molecule FYI-1007079

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A

Molecule Summary:

ID: FYI-1007079
Names:
InChIKey: FFWSICBKRCICMR-UHFFFAOYSA-N
SMILES: CC(=O)CCC(C)C

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

Molecule ID: FYI-1007079 Edit

Molecule Structure InChIKey: FFWSICBKRCICMR-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)CCC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007079
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    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
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  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  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007079-3D
FYIcenter.com

 22 21  0     0  0  0  0  0  0999 V2000
   -2.0965    1.2507   -0.4046 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9473   -0.1110    0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5544    0.4824    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5872   -0.5064    0.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411   -1.3399   -0.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0218    0.9536    0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486    0.0927   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1322   -0.8222    0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9951   -0.4126    1.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    1.3640    0.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5110    0.8424   -0.9807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5879   -0.8323    1.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4782   -1.3845   -0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5945   -2.1809   -0.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1016   -1.1220   -1.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2744   -1.6752   -0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8468    1.8292    0.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0164    0.5629    0.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0309    1.2865   -0.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0547   -0.2821   -0.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0428   -1.6751   -0.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1748   -1.1655    1.2002 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  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  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, 539👍, 0💬