Molecule FYI-1016402

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Molecule Summary:

ID: FYI-1016402
Names:
InChIKey: RBAIAEHYPNPODN-UHFFFAOYSA-N
SMILES: COC(=O)C(C)(O)COC(=O)c1ccccc1

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

Molecule ID: FYI-1016402 Edit

Molecule Structure InChIKey: RBAIAEHYPNPODN-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)C(C)(O)COC(=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016402
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016402-3D
FYIcenter.com

 31 31  0     1  0  0  0  0  0999 V2000
    0.1513    0.6355   -0.1502 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969    0.4420   -2.0176 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0615   -0.7067    1.2696 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411   -1.8335   -0.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9977    2.2487    1.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5222    0.6009   -0.6388 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3690    1.3524    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8243    1.3950   -0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7010   -0.7930   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9580    1.1993    0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1546    0.3585    0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4025    0.7560    0.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0307   -0.8281   -0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5268   -0.0335    0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1548   -1.6175   -0.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2608   -1.9554    1.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4029   -1.2203   -0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5581    1.4844    1.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2545    2.3392   -0.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7460    2.3403   -1.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0940    1.6174    0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6544    0.8380   -0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9649    0.0482   -2.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5202    1.6770    1.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0792   -1.1758   -0.9714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4986    0.2756    0.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0591   -2.5417   -1.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5434   -1.7441    2.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0695   -2.5167    1.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3337   -2.5365    1.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2781   -1.8350   -0.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2 23  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  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 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 17  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
$$$$

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