Molecule FYI-1011427

A

Molecule Summary:

ID: FYI-1011427
Names:
InChIKey: AKFXWEJMJZARKT-UHFFFAOYSA-N
SMILES: CCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)OCC)cc1)cc2

Received at FYIcenter.com on: 2024-08-08

Molecule ID: FYI-1011427 Edit

Molecule Structure InChIKey: AKFXWEJMJZARKT-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1011427
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    9.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9226    1.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3204    1.3279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0871    0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  2  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 19 25  1  0  0  0  0
 19 21  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011427-3D
FYIcenter.com

 52 53  0  0  0  0  0  0  0  0999 V2000
    4.8080    0.0446   -0.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5587    0.3083   -0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5612    1.6935    0.3149 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2473    2.0106    1.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2391    2.3174 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6599    3.4390    1.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    3.9537    2.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    5.2632    2.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527    6.0652    1.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2169    7.4416    1.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9332    7.9327    1.9693 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8178    8.0451   -0.0332 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3122    9.3799   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4725   10.4076    0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1051   10.3810    0.0500 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8340   11.0740   -1.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350   11.7209   -1.7366 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3989   10.9128   -1.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9187   11.5393   -2.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5786   11.3982   -2.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2961   10.6299   -2.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7343   10.5659   -2.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  2  0  0  0  0
  7  8  2  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  2  0  0  0  0
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 21 27  2  0  0  0  0
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 28 50  1  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 514👍, 0💬