Molecule FYI-1005132

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A

Molecule Summary:

ID: FYI-1005132
Names:
InChIKey: MCVISMWTGNEISA-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC

Received at FYIcenter.com on: 2023-10-15

Molecule ID: FYI-1005132 Edit

Molecule Structure InChIKey: MCVISMWTGNEISA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005132
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    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  2  0  0  0  0
 14 13  1  0  0  0  0
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 16 15  1  0  0  0  0
 17 15  2  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 18  2  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005132-3D
FYIcenter.com

 55 55  0     0  0  0  0  0  0999 V2000
   -2.4069    1.1882    1.7441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6787   -2.6109   -0.8717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5813    2.8535   -0.1249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8469   -0.9269   -2.7281 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809   -0.4826    0.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.6093    0.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8923   -0.9781    0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640   -1.0528    0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9768    0.1002    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0033   -2.1404    1.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3759   -0.4596   -0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3952   -1.6374    1.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4142    0.6631   -0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0341   -0.7240    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8293    0.1615   -0.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    0.6576    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6506   -1.2608   -0.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8686    1.2706   -0.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5991    1.5024   -0.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2414   -0.4160   -1.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2158    0.9656   -1.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2222    1.3730    2.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724    3.5628   -0.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1918   -1.7058    0.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1158   -0.4570    1.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7067    0.8070   -0.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9907    0.6694    0.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6635   -2.8426    1.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6504   -1.1647    0.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3720   -1.0181   -1.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0574   -2.4864    1.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4190    1.2108    0.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6272    1.9989   -1.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6752    1.6297   -2.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5665    1.5231    3.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5340    3.2146   -0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 22  1  0  0  0  0
  2 17  1  0  0  0  0
  2 48  1  0  0  0  0
  3 19  1  0  0  0  0
  3 23  1  0  0  0  0
  4 20  1  0  0  0  0
  4 52  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
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 11 37  1  0  0  0  0
 12 14  1  0  0  0  0
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 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
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 13 41  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
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 22 50  1  0  0  0  0
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 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
M  END
$$$$

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2023-10-27, 2277👍, 0💬