Molecule FYI-1016403

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A

Molecule Summary:

ID: FYI-1016403
Names:
InChIKey: ADQUDKDRVWWRMR-UHFFFAOYSA-N
SMILES: CCOC(=O)C(C)(C)CC(C)(O)C(=O)OCC

Received at FYIcenter.com on: 2025-12-23

Molecule ID: FYI-1016403 Edit

Molecule Structure InChIKey: ADQUDKDRVWWRMR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)C(C)(C)CC(C)(O)C(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016403
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
    5.8856    1.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8856    2.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6732    3.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0980    3.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6732    4.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4608    5.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6731    0.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607    1.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483    0.4529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607    2.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6798    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    1.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1126    2.9305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7473    3.7575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    4.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016403-3D
FYIcenter.com

 39 38  0  0  1  0  0  0  0  0999 V2000
    6.7105   -0.1851   -0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3201    0.3101   -1.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0364    1.4634   -0.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5796    1.1940    0.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1383    0.1104    1.3090 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8274    2.3971    1.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1018    3.6091    1.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2101    2.0782    3.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3801    2.5623    1.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0174    3.6285    2.8494 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6285    5.0682    2.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6031    3.3625    4.1886 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5663    3.5774    2.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3399    3.5207    3.6689 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9372    3.7894    1.4214 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2767    4.2616    1.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2724    5.7765    1.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0021   -1.0354   -1.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7558   -0.4866    0.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4491    0.6155   -0.8674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5610   -0.4688   -0.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3018    0.6325   -2.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0914    3.3404    0.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6314    4.0097    0.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9835    4.4168    2.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1539    1.7898    3.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2391    2.9318    3.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7247    1.2353    3.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7519    2.7180    0.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7938    1.5876    2.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6456    5.3292    2.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6630    5.2519    1.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3263    5.7713    2.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8756    4.1131    4.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5757    3.9725    0.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9849    3.8014    1.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5742    6.2128    0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2672    6.1930    1.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9290    6.0891    2.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  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  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END
$$$$

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2026-01-24, 254👍, 0💬