Molecule FYI-1001156

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A

Molecule Summary:

ID: FYI-1001156
SMILES: CCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O

Received at FYIcenter.com on: 2022-02-08

Molecule ID: FYI-1001156 Edit

Molecule Structure SMILES String: CCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001156
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
   17.9774    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.6332    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  3  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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  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
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001156-3D
FYIcenter.com

 52 52  0  0  1  0  0  0  0  0999 V2000
    1.0525   -0.0037    0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5679   -0.0112    0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0904    0.9845   -1.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6103    0.9794   -1.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1229    1.9751   -2.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6423    1.9712   -2.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1541    2.9674   -3.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6725    2.9664   -3.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2188    3.9535   -4.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7178    3.9123   -4.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3893    3.1966   -3.4073 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2475    4.8177   -5.0330 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5510    5.2756   -4.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4206    6.4205   -3.5979 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7156    5.9625   -2.4316 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7962    6.9798   -3.1841 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.6883    8.0483   -2.2096 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7232    9.0233   -2.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5709    8.4977   -3.6166 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.7095    7.7873   -3.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6162    7.5609   -4.3335 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.8053    8.2940   -5.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777   -0.7190    0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6555   -0.2771   -0.9617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6744    0.9907    0.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9297   -1.0180   -0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9485    0.2442    1.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7262    1.9918   -0.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7073    0.7304   -2.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9774   -0.0260   -1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9963    1.2379   -0.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7570    2.9809   -1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7356    1.7181   -3.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0068    0.9637   -2.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0282    2.2282   -1.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7841    3.9708   -2.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7671    2.7049   -4.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0353    1.9562   -3.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0546    3.2150   -2.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8867    4.9694   -3.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8664    3.6927   -5.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0934    5.6328   -5.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1106    4.4348   -4.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7964    7.2095   -4.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2231    5.2263   -2.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3629    6.1843   -2.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3049    9.1822   -1.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2252    9.9618   -2.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9261    9.3111   -4.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4126    7.1260   -2.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1248    6.7680   -4.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3723    9.0213   -4.7655 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 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 16 46  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
M  END
$$$$

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2022-05-05, 2668👍, 0💬