Molecule FYI-1016593

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A

Molecule Summary:

ID: FYI-1016593
Names:
InChIKey: PFAICEVPWMEYHA-JTQLQIEISA-N
SMILES: CCC[C@@H](CCOC(C)=O)OC(C)=O

Received at FYIcenter.com on: 2026-01-27

Molecule ID: FYI-1016593 Edit

Molecule Structure InChIKey: PFAICEVPWMEYHA-JTQLQIEISA-N

Molecule Structure SMILES String: CCC[C@@H](CCOC(C)=O)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016593
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.3579    0.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4305    0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5852    0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7996    0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9276    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0307    0.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0709    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8788    2.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9460    3.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3209    2.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5898    4.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1656    0.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1407    2.2333    0.0000 O   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016593-3D
FYIcenter.com

 32 31  0  0  1  0  0  0  0  0999 V2000
    2.7382   -0.3221    1.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3495    0.0583   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    1.2595   -0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6508    1.1281   -0.6460 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1007   -0.0594   -1.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6230   -0.1997   -1.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0110   -1.3250   -2.3555 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0631   -2.5243   -1.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5702   -3.6023   -2.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7383   -2.7189   -0.5515 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1675    2.3317   -1.2684 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3439    3.4102   -0.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    4.6019   -1.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1239    3.4342    0.7466 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0821   -1.1199    1.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6386    0.5308    2.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670   -0.6898    1.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2806    0.3058   -0.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4653   -0.8092   -0.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8675    2.1404    0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7299    1.4891   -1.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0799    1.0188    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417    0.0621   -2.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6676   -0.9938   -1.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0423   -0.2900   -0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0812    0.6842   -1.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9394   -3.1822   -3.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7626   -4.3048   -2.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4014   -4.1188   -2.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2941    4.2899   -2.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5288    5.1641   -0.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9432    5.2351   -1.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  1  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  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 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
M  END
$$$$

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2026-02-02, 584👍, 0💬