Molecule FYI-1001034

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Molecule Summary:

ID: FYI-1001034
SMILES: C1CC2C(CCC3(C)C2CCC3OI)C4(C)CCC(F)(F)CC14

Received at FYIcenter.com on: 2021-10-25

Molecule ID: FYI-1001034 Edit

Molecule Structure SMILES String: C1CC2C(CCC3(C)C2CCC3OI)C4(C)CCC(F)(F)CC14

Download SDF Download SVG Structure in 2D SDF:

FYI-1001034
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    6.1753    4.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7426    6.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732    6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4364    5.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0671    5.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345    6.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    8.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    8.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    7.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    8.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    9.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.4191    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.8691    4.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997    4.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9323    2.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3649    1.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7343    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4432    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7747    0.4326    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6711    2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2385    3.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  6  5  1  0  0  0  0
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  9  7  1  0  0  0  0
  9  3  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 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
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 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 23  1  1  0  0  0  0
 23 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001034-3D
FYIcenter.com

 52 55  0  0  1  0  0  0  0  0999 V2000
   -1.1514    1.8333    0.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953    0.5711   -0.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6285   -0.6008   -0.0587 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8089   -0.2221   -0.4736 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7608   -1.4223   -0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105   -2.7124    0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2017   -3.1564   -0.2531 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0295   -4.2599   -1.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0659   -1.9330   -0.7312 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5295   -2.2597   -0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5127   -3.6754    0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1229   -3.7668    0.8647 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7556   -5.1048    1.1922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7903   -5.9078    2.6255 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    1.0700    0.3145 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4140    0.7569    1.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094    1.5415   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0855    2.9494    0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0261    3.9713   -0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    5.1988    0.3648 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9656    4.0528   -1.4330 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6735    3.5933    0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730    2.2040   -0.0157 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2272    1.6856    1.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7678    0.0795   -1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7001   -1.1776    0.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0445   -1.6636   -1.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9437   -3.4998    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -2.5935    1.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5535   -3.8789   -2.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6477   -5.0667   -0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0160   -1.8412   -1.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2416   -2.0990   -1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8408   -1.6287    0.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6392   -4.3901   -0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3314   -3.8434    0.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0658   -3.1326    1.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3453    1.1213    2.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4082   -0.3235    2.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6013    1.1853    2.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304    1.5350   -1.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4937    0.8470    0.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    3.2414   -0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2203    2.9704    1.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    4.3327    0.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6767    3.6491    1.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2415    2.2907   -1.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 2006👍, 0💬