Molecule FYI-1015027

Home > Molecule

A

Molecule Summary:

ID: FYI-1015027
Names:
InChIKey: OSSWBZXPRYZGRO-VMPITWQZSA-N
SMILES: C=C1/C=C/C(C(C)C)CCC(=C)C(O)CC1

Received at FYIcenter.com on: 2025-06-15

Molecule ID: FYI-1015027 Edit

Molecule Structure InChIKey: OSSWBZXPRYZGRO-VMPITWQZSA-N

Molecule Structure SMILES String: C=C1/C=C/C(C(C)C)CCC(=C)C(O)CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015027
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.1964    4.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9571    5.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9571    6.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178    4.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4786    5.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393    4.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393    2.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4786    2.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4786    0.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9571    0.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1964    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9571    2.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8911    2.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713    2.7730    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  7  2  0  0  0  0
  9  7  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
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 15  4  1  0  0  0  0
 16  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015027-3D
FYIcenter.com

 40 40  0     1  0  0  0  0  0999 V2000
    3.0883    1.6941   -1.1293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8358    0.2172   -0.2774 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2104   -0.1062    0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4723    1.7004   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0919    2.1569   -0.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1229    1.6657    0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7946   -0.6927    0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1226    0.8173   -0.5351 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9041   -0.2696    0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2689    0.8358   -0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5808   -1.5611    0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0869   -1.3725    0.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0717   -1.5579   -0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1725   -2.1676    0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2939    2.0142    1.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5352   -3.3738   -0.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8688    0.0753   -1.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1955    0.0295    1.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5589    1.9294    1.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990    2.3419   -0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0669    3.2553   -0.5328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0070    1.8796   -1.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5575   -0.5215    1.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6113    0.3321   -1.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5636    0.2069    0.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5951   -0.7542   -0.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2275    0.8794   -1.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2737    0.4972    0.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1702    1.8506    0.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5455   -1.7866   -1.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5983   -1.7718    0.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9212   -2.2618    0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5319   -0.9532    1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8083   -2.0584    1.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3485   -1.7448   -1.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1604    1.7002    2.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5712    2.6399    2.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    1.1596   -1.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4766   -3.8291   -0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -3.9376   -1.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 38  1  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 17  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  2  0  0  0  0
  7 13  2  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  2  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-18, 713👍, 0💬