Molecule FYI-1012760

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A

Molecule Summary:

ID: FYI-1012760
Names:
InChIKey: AUEDJALOSWNCGP-UHFFFAOYSA-N
SMILES: CCCCCCOCCN(CCOCC)CCOCC

Received at FYIcenter.com on: 2024-10-21

Molecule ID: FYI-1012760 Edit

Molecule Structure InChIKey: AUEDJALOSWNCGP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCOCCN(CCOCC)CCOCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1012760
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   16.9741    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
   14.5492    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
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 O   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
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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
  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  1  0  0  0  0
 12 11  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 10  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012760-3D
FYIcenter.com

 55 54  0  0  0  0  0  0  0  0999 V2000
    1.0561   -0.6434    0.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5626   -0.4671    0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9787    0.9625    0.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4925    1.1272    0.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9473    2.5470    1.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4635    2.6349    1.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9325    3.9492    1.3318 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3546    3.9932    1.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9391    5.3762    1.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4176    5.4235    1.3824 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9101    5.1389    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4371    4.9445   -0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0099    3.9413    0.6918 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5649    2.6220    0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3342    1.6419    1.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9580    6.7139    1.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6467    7.0944    3.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1806    6.1196    4.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8975    6.4374    5.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4961    5.3597    6.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7781   -1.6714    0.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5422    0.0280   -0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984   -0.4308    1.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937   -0.7140   -0.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0501   -1.1763    1.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    1.2044    1.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4884    1.6673    0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8229    0.8757   -0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9795    0.4152    1.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6337    2.8210    2.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4814    3.2761    0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7611    2.3777   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9280    1.9214    1.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5377    3.7469    0.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292    3.2348    1.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6059    5.6059    2.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4835    6.1375    0.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5785    5.9268   -0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4623    4.2105   -0.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9662    5.8797    0.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6614    4.6972   -1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7397    2.3938   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991    2.5225    0.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4051    1.6857    1.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9833    0.6192    1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2166    1.8877    2.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6189    7.5300    1.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0507    6.6786    1.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5717    7.2136    3.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1235    8.0594    3.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8134    6.4819    5.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3361    7.4092    5.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0698    4.3818    6.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3092    5.5735    7.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5765    5.2851    6.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  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
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
M  END
$$$$

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2024-10-25, 678👍, 0💬