Molecule FYI-1000384

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Molecule Summary:

ID: FYI-1000384
SMILES: C/C(C)=C\\CC/C(C)=C/CC/C(C)=C/CCC(C)=O

Received at FYIcenter.com on: 2021-04-30

Molecule ID: FYI-1000384 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1000384
FYIcenter.com

 19 18  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    6.0941    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8779    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  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
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  5 17  1  0  0  0  0
  9 18  1  0  0  0  0
 13 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000384-3D
FYIcenter.com

 49 48  0  0  0  0  0  0  0  0999 V2000
    0.9535    1.3782    0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4504    1.4262    0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1228    2.6825    0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504    0.3792    1.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6458    0.3765    1.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2485    0.9032    2.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7615    0.9072    2.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5505    0.4237    1.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4099    1.3507    3.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9096    1.3702    3.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5010    1.8885    4.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0100    1.8973    4.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7824    0.6007    4.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6678    3.0628    4.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1698    3.1299    4.9192 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7407    4.5349    5.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2604    4.5255    5.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0137    5.8274    5.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9179    3.5046    4.9508 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5280    2.3062    0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5615    1.2285    1.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6127    0.5591   -0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    3.4367   -0.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7786    2.4643   -0.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7294    3.1297    0.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6441   -0.5234    1.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0157    0.9873    0.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9922   -0.6510    0.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8926    0.2927    3.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8959    1.9278    2.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9472    0.0848    0.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1831   -0.4272    1.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1833    1.2280    0.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8549    1.6999    4.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2653    2.0001    2.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2590    0.3440    3.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1464    1.2789    5.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1299    2.9082    4.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1617   -0.2841    4.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4304    0.4207    5.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4183    0.6671    3.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1086    3.9853    5.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5233    2.7300    3.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5355    2.4812    5.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042    4.9328    6.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3899    5.1833    4.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3652    6.6973    5.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6372    5.9967    4.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6517    5.7479    6.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-10-10, 2426👍, 0💬