Molecule FYI-1007082

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A

Molecule Summary:

ID: FYI-1007082
Names:
InChIKey: OAPHLAAOJMTMLY-GQCTYLIASA-N
SMILES: C/C=C(C)/C(=O)OCC

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

Molecule ID: FYI-1007082 Edit

Molecule Structure InChIKey: OAPHLAAOJMTMLY-GQCTYLIASA-N

Molecule Structure SMILES String: C/C=C(C)/C(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007082
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    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    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   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
    2.4249    0.0000    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
    0.0000    1.4000    0.0000 C   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007082-3D
FYIcenter.com

 21 20  0     0  0  0  0  0  0999 V2000
    1.2489   -0.2853    0.0797 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606    1.7403   -0.3907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0744   -0.2480   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5382    0.3368    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1949    0.5398   -0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0363   -1.6850   -0.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1685    0.4248    0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5924   -0.7101    0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5557   -0.1132    0.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7220    0.7848   -0.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707    1.1179    0.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0206   -2.0708   -0.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3980   -1.8039   -1.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6351   -2.3114    0.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0770    1.4754    0.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5926   -0.2681    0.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4112   -1.1802    1.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5596   -1.5077   -0.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9306    0.1286    1.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6190   -1.1971    0.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2193    0.3538   -0.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
$$$$

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2024-02-11, 978👍, 0💬