Molecule FYI-1001402

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A

Molecule Summary:

ID: FYI-1001402
SMILES: C[N+](C)(CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)O

Received at FYIcenter.com on: 2022-07-08

Molecule ID: FYI-1001402 Edit

Molecule Structure SMILES String: C[N+](C)(CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001402
FYIcenter.com

 35 34  0  0  0  0  0  0  0  0999 V2000
    4.3374    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.1125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9373    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    5.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9996    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0369    7.3249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6369    7.3249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2493    6.6249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.9493    5.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2493    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.9493    4.0125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6369    4.5249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9369    3.3125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0368    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    1.9125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8245    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4245    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4125    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
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  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
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 21 19  1  0  0  0  0
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 23 22  1  0  0  0  0
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 25 22  1  0  0  0  0
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 31 28  1  0  0  0  0
 32  2  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001402-3D
FYIcenter.com

 55 54  0  0  0  0  0  0  0  0999 V2000
    2.6241    1.0591    0.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    0.6470    2.3449 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7956    0.7736    2.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078   -0.7845    2.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1678   -1.8436    1.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7221   -3.2195    2.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863   -3.5648    3.4782 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463   -5.0728    3.8997 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4082   -6.0240    3.0278 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4809   -4.8978    3.9358 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327   -5.3178    5.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9258   -6.6789    6.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4457   -6.9938    7.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9131   -6.0318    8.2772 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0913   -6.8973    7.4651 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9047   -8.3800    7.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4015   -9.3036    7.0083 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2610   -8.4608    7.7520 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -8.6867    9.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0253   -7.7722   10.1428 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1338   -8.5607    9.4162 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9123  -10.0864    9.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3319  -10.9916    8.8465 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2573  -10.2244    9.5199 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5385  -10.3901   11.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1384   -9.4993   11.9516 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1986  -10.2161   11.2961 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9449  -11.8149   11.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5496  -12.4800   10.4554 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8006  -11.8377   12.5154 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8691  -12.5555   11.8303 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8458    1.4020    4.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.5179    5.3055 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2730    0.1700    1.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5211    1.8251    2.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8956   -0.7664    2.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8083   -3.2256    1.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3758   -3.5852    3.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3404   -5.2868    5.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8035   -4.5071    6.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0202   -6.6903    6.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5718   -7.4520    5.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1171    1.5417    3.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0553    2.9675    5.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 37  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 32  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 48  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
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 16 18  1  0  0  0  0
 16 19  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 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
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 32 33  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 1182👍, 0💬