Molecule FYI-1014260

A

Molecule Summary:

ID: FYI-1014260
Names:
InChIKey: LKNCUJNHIXNYKB-UHFFFAOYSA-N
SMILES: CC(C)(CO)COC(=O)c1ccc(C(=O)OCC(C)(C)CO)cc1

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

Molecule ID: FYI-1014260 Edit

Molecule Structure InChIKey: LKNCUJNHIXNYKB-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014260
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.5861    8.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298    7.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9425    7.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1148    5.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1148    4.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4596    7.5248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3446    8.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3574    4.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3825    3.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6251    4.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    5.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8175    6.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4596    2.3753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4408    2.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2470    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014260-3D
FYIcenter.com

 50 50  0     0  0  0  0  0  0999 V2000
   -3.3469   -0.1991    0.2169 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3532   -0.1973   -0.2173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2993    1.4885   -2.1053 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2956    1.4902    2.1054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5435   -2.4926    0.2290 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5407   -2.4917   -0.2284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1882    1.4180    0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1845    1.4193   -0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7694   -0.0672    0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7661   -0.0660   -0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7297    2.1146   -0.9621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7259    2.1160    0.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5543    2.1206    1.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7202    1.4961    0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5506    2.1215   -1.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7165    1.4976   -0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8446   -1.4714    0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3904   -1.4708   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6973   -2.6793    0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  2 18  1  0  0  0  0
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  3 45  1  0  0  0  0
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  5 17  2  0  0  0  0
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  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
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 13 33  1  0  0  0  0
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 13 35  1  0  0  0  0
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 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
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 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  2  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END
$$$$

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