Molecule FYI-1007668

A

Molecule Summary:

ID: FYI-1007668
Names:
InChIKey: MEADLLRTLIZEKI-UHFFFAOYSA-N
SMILES: CN(C)Cc2cccc(Cc1ccc(CCCCCCCCO)cc1O)c2

Received at FYIcenter.com on: 2024-03-11

Molecule ID: FYI-1007668 Edit

Molecule Structure InChIKey: MEADLLRTLIZEKI-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)Cc2cccc(Cc1ccc(CCCCCCCCO)cc1O)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007668
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
   15.7616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    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    3.5000    0.0000 C   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    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    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
   14.5492    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  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  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  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 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 14  1  0  0  0  0
 25 24  2  0  0  0  0
 25 11  1  0  0  0  0
 26 25  1  0  0  0  0
 27  9  2  0  0  0  0
 27  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007668-3D
FYIcenter.com

 62 63  0  0  0  0  0  0  0  0999 V2000
    8.1301    5.0644   -1.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888    5.3078   -1.4515 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4555    6.7115   -1.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0647    4.4300   -2.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1306    2.9504   -2.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5896    2.4348   -0.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5982    1.0611   -0.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1277    0.1823   -1.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639    0.6727   -2.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1898   -0.2654   -3.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6331   -0.6645   -3.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9443   -1.8247   -3.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2727   -2.1856   -2.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3184   -1.3963   -3.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -1.7375   -2.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4813   -0.6122   -2.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8337   -0.2658   -0.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5973    0.8643   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9534    1.2269    1.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7244    2.3545    1.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0866    2.7273    3.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8499    3.8538    3.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2357    4.1697    5.1131 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0113   -0.2637   -4.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    0.1048   -4.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4035    1.2426   -4.9474 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6829    2.0590   -3.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5681    5.7005   -0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6507    5.2703   -2.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3465    4.0324   -1.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8202    7.3727   -1.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3855    6.9171   -1.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9572    6.9887   -2.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5012    4.6184   -3.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9977    4.6740   -2.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1608    3.1111   -0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1743    0.6729    0.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1094   -0.8858   -1.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0472    0.1812   -4.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5607   -1.1662   -3.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1491   -2.4469   -2.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4808   -3.0734   -2.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -1.9603   -3.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7933   -2.6513   -2.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5259    0.2886   -2.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5190   -0.9235   -2.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8181   -1.1536   -0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7930    0.0471   -0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6104    1.7460   -0.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6375    0.5609    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9323    0.3455    1.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9133    1.5355    1.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7475    3.2332    1.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7642    2.0444    2.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0542    1.8545    3.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0427    3.0294    3.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8646    4.7553    3.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8846    3.5572    4.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3155    4.4234    4.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8176    0.3403   -4.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2283    1.7373   -5.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1246    2.4431   -3.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  2  0  0  0  0
  6  7  2  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  2  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  2  0  0  0  0
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 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 24  2  0  0  0  0
 15 16  1  0  0  0  0
 15 43  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 19  1  0  0  0  0
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 18 50  1  0  0  0  0
 19 20  1  0  0  0  0
 19 51  1  0  0  0  0
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 20 21  1  0  0  0  0
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 20 54  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 25  1  0  0  0  0
 24 60  1  0  0  0  0
 25 26  1  0  0  0  0
 26 61  1  0  0  0  0
 27 62  1  0  0  0  0
M  END
$$$$

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2024-03-17, 2051👍, 0💬