Molecule FYI-1004209

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A

Molecule Summary:

ID: FYI-1004209
Names:
InChIKey: JTMQIYSIXSMCKE-UHFFFAOYSA-N
SMILES: CC(C)CCOCOCCC(C)C

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004209 Edit

Molecule Structure InChIKey: JTMQIYSIXSMCKE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCOCOCCC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004209
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
   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
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   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
    4.8497    0.0000    0.0000 O   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 C   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
    1.2124    2.1000    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  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
  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 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004209-3D
FYIcenter.com

 37 36  0     0  0  0  0  0  0999 V2000
   -0.8624   -1.5538   -0.8151 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8882   -1.5778    0.8197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5822    1.0269   -0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5847    1.0245    0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6090    0.0743   -0.9971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375    0.0476    0.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7287   -0.7282   -0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7265   -0.7266    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4922    0.2325    0.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8566    2.1200    0.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4633    0.2624   -0.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8314    2.1402   -0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005   -2.3421    0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2039    1.5071   -1.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2315    1.4816    1.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9710    0.6451   -1.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1716   -0.6201   -1.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0227    0.5947    1.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2224   -0.6654    1.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1341   -0.0580    0.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351   -1.3727    0.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1119   -0.0358   -0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107   -1.3487   -0.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2970    0.8755    1.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9580   -0.1528    1.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9601   -0.6092    0.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2995    1.7190    1.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5761    2.8469    0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1553    2.6607   -0.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2539    0.9189   -1.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9002   -0.0963   -1.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9497   -0.5943   -0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2465    1.7653   -1.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5362    2.8812   -0.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1513    2.6582    0.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6014   -2.9838    0.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5844   -2.9993   -0.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
M  END
$$$$

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2023-09-10, 2781👍, 0💬