Molecule FYI-1006110

A

Molecule Summary:

ID: FYI-1006110
Names:
InChIKey: FBFYDNWNEUARHH-UHFFFAOYSA-N
SMILES: O=C(O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)OCCCCO)cc1)cc2

Received at FYIcenter.com on: 2023-11-27

Molecule ID: FYI-1006110 Edit

Molecule Structure InChIKey: FBFYDNWNEUARHH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)OCCCCO)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006110
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006110-3D
FYIcenter.com

 53 54  0  0  0  0  0  0  0  0999 V2000
   -0.8398    0.6317   -0.8212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2200    1.5899   -1.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2302    2.3989   -1.1007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329    1.9448   -2.8012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1607    0.9146   -3.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4299    1.2091   -4.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5668    2.5366   -5.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2371    2.7918   -6.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6712    1.9105   -7.3422 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3021    4.1248   -6.8707 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9444    4.4911   -8.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4634    4.5119   -7.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0938    4.8998   -9.1865 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8263    6.0379   -9.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9643    6.7716   -8.1724 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4164    6.3560  -10.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7623    5.3829  -11.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3688    5.7638  -12.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6234    7.1168  -12.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3855    7.4908  -14.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8742    6.6846  -14.8981 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5686    8.8342  -14.1497 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9016    9.2546  -14.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9597   10.0602  -15.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3732   10.6013  -15.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5058   11.3898  -17.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8448   11.8465  -17.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2627    8.0837  -11.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6761    7.7047  -10.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0943    3.5663   -4.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4943    3.2740   -3.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5547    3.0021   -1.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6008    8.4106  -14.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2068    9.8922  -13.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2381   10.8853  -15.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6554    9.4295  -16.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0968    9.7762  -15.9608 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6610   11.2410  -15.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8399   12.2583  -17.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2704   10.7616  -18.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0301   12.4587  -16.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4665    9.1389  -12.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4368    8.4701   -9.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1948    4.6113   -4.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8001    4.0987   -2.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  2  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 38  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 29  2  0  0  0  0
 17 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
$$$$

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2023-12-29, 1116👍, 0💬