Molecule FYI-1014249

A

Molecule Summary:

ID: FYI-1014249
Names:
InChIKey: NWLBZJSHJVICJB-UHFFFAOYSA-N
SMILES: CC(C)(CO)COCC(C)(C)COC(=O)c2ccc(C(=O)OCC(C)(C)COC(=O)c1ccc(C(=O)O)cc1)cc2

Received at FYIcenter.com on: 2025-03-17

Molecule ID: FYI-1014249 Edit

Molecule Structure InChIKey: NWLBZJSHJVICJB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(CO)COCC(C)(C)COC(=O)c2ccc(C(=O)OCC(C)(C)COC(=O)c1ccc(C(=O)O)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014249
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
   17.9991    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6991    5.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9996   10.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.7000    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  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
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 33 32  2  0  0  0  0
 33 25  1  0  0  0  0
 34 13  1  0  0  0  0
 35 34  2  0  0  0  0
 35 10  1  0  0  0  0
  5 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 37 40  1  0  0  0  0
 37 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014249-3D
FYIcenter.com

 81 82  0  0  0  0  0  0  0  0999 V2000
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    6.1226    7.6876    9.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6948    8.1481    8.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6142    8.1423    7.9978 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8274    6.2702    7.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    5.8309    7.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2025-04-11, 1056👍, 0💬