Molecule FYI-1003708

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A

Molecule Summary:

ID: FYI-1003708
Names:
InChIKey: NXQMCAOPTPLPRL-UHFFFAOYSA-N
SMILES: O=C(OCCOCCOC(=O)c1ccccc1)c2ccccc2

Received at FYIcenter.com on: 2023-07-20

Molecule ID: FYI-1003708 Edit

Molecule Structure InChIKey: NXQMCAOPTPLPRL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(OCCOCCOC(=O)c1ccccc1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003708
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   14.5492    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   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
    3.6373    4.2000    0.0000 O   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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    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
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18  2  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003708-3D
FYIcenter.com

 41 42  0     0  0  0  0  0  0999 V2000
   -3.0709    0.2468    0.2157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9616   -2.3080    0.2926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2554    2.3568    0.4983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4640   -1.1181   -1.6140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7959    2.3091   -1.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8160   -0.8480    0.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4567    1.4729    0.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3611   -2.1241    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6309    2.5985    0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863   -2.0122   -0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9573    1.9820   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010   -1.7556   -0.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4462    2.2321   -0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516   -2.1198   -1.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9519    1.8222   -1.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521   -2.1502    1.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2815    1.9075    1.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5824   -2.3657   -0.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2705    1.5875   -0.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9831   -2.3960    1.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6001    1.6730    1.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482   -2.5038    0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5947    1.5130    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6298   -0.9206    1.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8863   -0.6919    0.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5222    1.6593    0.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2720    1.4087    1.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5737   -2.1021   -1.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8864   -2.9864    0.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9027    3.5466    0.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8474    2.6902   -0.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9834   -2.0160   -2.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7198    1.8752   -2.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0753   -2.0570    1.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393    2.0242    1.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342   -2.4482   -1.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0447    1.4611   -1.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2691   -2.4990    2.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8530    1.6131    2.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9847   -2.6928    0.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210    1.3285    0.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  2  0  0  0  0
  5 13  2  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 16 20  2  0  0  0  0
 16 34  1  0  0  0  0
 17 21  2  0  0  0  0
 17 35  1  0  0  0  0
 18 22  2  0  0  0  0
 18 36  1  0  0  0  0
 19 23  2  0  0  0  0
 19 37  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END
$$$$

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2023-07-29, 1135👍, 0💬