Molecule FYI-1016253

Home > Molecule

A

Molecule Summary:

ID: FYI-1016253
Names:
InChIKey: YKAYMASDSHFOGI-UHFFFAOYSA-N
SMILES: O=C2CCC(c1ccccc1)CC2

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016253 Edit

Molecule Structure InChIKey: YKAYMASDSHFOGI-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CCC(c1ccccc1)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016253
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   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
    2.4249    2.8000    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    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016253-3D
FYIcenter.com

 27 28  0     0  0  0  0  0  0999 V2000
    4.2896   -0.3313   -0.5673 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3520    0.2805    0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396    1.0583   -0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0546   -1.0716    0.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5198    1.2791   -0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5350   -0.8892    0.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349    0.1086    0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1997   -0.0301   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    1.0677    0.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5964   -1.0080   -0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3993    0.9095    0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9627   -1.1662   -0.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8642   -0.2073   -0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4654    0.8569    1.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5522    2.0300   -0.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9303    0.5073   -1.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9998   -1.6984   -0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5771   -1.6273    1.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6566    1.9582    0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0056    1.7240   -1.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0320   -1.8645    1.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6728   -0.4044    1.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6829    1.9433    1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9347   -1.7662   -0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1012    1.6565    0.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3249   -2.0325   -1.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9279   -0.3297   -0.4623 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  7  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  2  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 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-12-09, 702👍, 0💬