Molecule FYI-1013305

A

Molecule Summary:

ID: FYI-1013305
Names:
InChIKey: BIJYRRYDAARRFS-UHFFFAOYSA-N
SMILES: CCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)OCCO)cc1)cc2

Received at FYIcenter.com on: 2024-12-05

Molecule ID: FYI-1013305 Edit

Molecule Structure InChIKey: BIJYRRYDAARRFS-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1013305
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
   24.2487    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 O   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
   10.9120    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  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  2  0  0  0  0
 20 18  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
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013305-3D
FYIcenter.com

 53 54  0     0  0  0  0  0  0999 V2000
   -0.9956    3.1698   -0.1715 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7304    2.9324    0.4527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7475   -2.3425    0.6150 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5259   -3.0200   -1.0090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3133    4.0571   -1.8376 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183    3.2994    2.2521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2786   -1.7716   -1.0064 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5978   -2.3959   -0.2236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7351   -3.5304    3.1578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831    1.9613   -0.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4478    1.4012    0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414   -0.3294   -0.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1234    4.2910   -0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9916    4.1172    0.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7269   -0.9400    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240    1.0029    0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0212    1.7742   -1.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3031   -0.1424    0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8003    0.6289   -1.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8113    1.2315    1.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238    0.4003    0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4508    0.0608    0.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3634   -0.7703   -0.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0542    3.1808   -1.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7814    2.6218    1.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2542   -1.5230   -0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3941   -2.1599   -0.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0665   -4.2610   -1.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7528   -4.3215    1.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9610   -5.0686   -2.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5140   -0.0510    0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7595   -1.5234   -0.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5055   -4.1589   -0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4784   -3.2959    1.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8570   -4.0611   -2.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4860   -4.8156   -0.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7150   -4.5258    1.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1545   -5.2592   -1.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194   -4.5170   -2.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3399   -6.0258   -2.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2737   -4.0478    3.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 24  1  0  0  0  0
  2 14  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 27  1  0  0  0  0
  4 29  1  0  0  0  0
  5 24  2  0  0  0  0
  6 25  2  0  0  0  0
  7 26  2  0  0  0  0
  8 27  2  0  0  0  0
  9 30  1  0  0  0  0
  9 53  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 10 24  1  0  0  0  0
 11 20  2  0  0  0  0
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 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
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 15 22  2  0  0  0  0
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 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 22  1  0  0  0  0
 20 40  1  0  0  0  0
 21 23  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 28 30  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 31  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$

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2024-12-18, 796👍, 0💬