Molecule FYI-1003785

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A

Molecule Summary:

ID: FYI-1003785
Names:
InChIKey: PORCPHWGCSMBTA-UHFFFAOYSA-N
SMILES: C1COCOCOCOCOCOCOCOCOCOCO1

Received at FYIcenter.com on: 2023-07-26

Molecule ID: FYI-1003785 Edit

Molecule Structure InChIKey: PORCPHWGCSMBTA-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003785
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.1052    8.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3777    7.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3777    3.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1052    1.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1283    0.9289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713    0.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7421    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388    0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4579    0.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6017    1.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4853    2.4577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0430    3.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2336    5.1288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0430    6.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4853    7.7998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6017    8.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4579    9.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388   10.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7421   10.2575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713    9.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1283    9.3286    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
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  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
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 16 15  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003785-3D
FYIcenter.com

 47 47  0  0  0  0  0  0  0  0999 V2000
    9.2506   -1.9294   -8.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0163   -2.0449   -8.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5607   -2.0884  -10.1825 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9448   -2.6735  -10.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2320   -1.9623  -10.4547 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4581   -2.5592  -11.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4866   -3.1814  -10.2581 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0630   -3.9388   -9.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1541   -3.1418   -7.9612 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1559   -2.1552   -7.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8077   -1.8116   -6.6543 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3988   -1.8079   -6.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0380   -1.5598   -5.2952 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6433   -1.5023   -5.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2434   -1.0302   -4.0082 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8923   -0.8507   -4.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1218   -0.3842   -3.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8657   -0.7256   -3.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5970   -0.3504   -3.1345 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8009   -0.9031   -4.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5076   -1.8562   -5.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1349   -1.5196   -6.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7161   -1.6519   -6.7834 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8424   -2.9171   -8.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7964   -1.1491   -8.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0548   -3.6991  -10.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8562   -2.7111  -11.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2817   -3.2330  -11.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0600   -1.7204  -11.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7810   -4.7537   -8.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1013   -4.3895   -9.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2866   -2.5992   -8.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4740   -1.2606   -8.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0108   -2.7920   -6.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0477   -0.9983   -7.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2139   -2.4947   -5.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2922   -0.8060   -6.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5155   -1.8701   -4.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0449   -1.4874   -3.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2904   -0.0690   -4.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7059   -2.2945   -7.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7931   -0.5274   -6.8493 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
  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
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
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 10 35  1  0  0  0  0
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 12 13  1  0  0  0  0
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 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 2920👍, 0💬