Molecule FYI-1016748

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A

Molecule Summary:

ID: FYI-1016748
Names:
InChIKey: GFXUKSMUKHKIGP-UHFFFAOYSA-N
SMILES: O=C(C1=CCCCC1)c2ccccc2

Received at FYIcenter.com on: 2026-03-05

Molecule ID: FYI-1016748 Edit

Molecule Structure InChIKey: GFXUKSMUKHKIGP-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(C1=CCCCC1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016748
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
  7 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016748-3D
FYIcenter.com

 28 29  0     0  0  0  0  0  0999 V2000
   -0.1135   -2.3842    0.1230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9889    0.9537    1.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9009    0.5629   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549   -0.0603    1.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1204    0.4538   -1.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2382   -0.4713    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7930   -0.2315   -1.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0561   -1.1571    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3049   -0.3519    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2089    1.0224   -0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5188   -1.0057    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3810    1.7779   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6909   -0.2503   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6219    1.1416   -0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5654    1.9483    0.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5686    1.0261    2.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3775   -0.4003    0.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066    1.2975   -0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0994    0.3697    1.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2465   -0.9568    1.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285   -0.0891   -2.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9445    1.4561   -1.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2879   -0.5315   -2.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2686    1.5622   -0.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5945   -2.0878    0.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3280    2.8618   -0.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6574   -0.7455    0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5344    1.7298   -0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 11 25  1  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

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2026-03-22, 442👍, 0💬