Molecule FYI-1011981

A

Molecule Summary:

ID: FYI-1011981
Names:
InChIKey: BAWZCXWHQRYCJR-QYQHSDTDSA-N
SMILES: C/C(C)=C/5CCC6(COC(=O)c1ccccc1)C(OC(=O)c2ccccc2)/C=C(C)\\CCC3OC3(C)CC(OC(=O)c4cccnc4)C56

Received at FYIcenter.com on: 2024-08-14

Molecule ID: FYI-1011981 Edit

Molecule Structure InChIKey: BAWZCXWHQRYCJR-QYQHSDTDSA-N

Molecule Structure SMILES String: C/C(C)=C/5CCC6(COC(=O)c1ccccc1)C(OC(=O)c2ccccc2)/C=C(C)\CCC3OC3(C)CC(OC(=O)c4cccnc4)C56

Download SDF Download SVG Structure in 2D SDF:

FYI-1011981
FYIcenter.com

 48 53  0  0  0  0  0  0  0  0999 V2000
    3.1859    1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5444    2.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5978    3.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3996    4.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6954    5.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5092    6.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7723    7.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7393    6.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1280    6.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9836    5.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611    7.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0736    5.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0968    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4401    2.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9945    1.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9014    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2071    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5080    0.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2565    0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3905    1.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3035    4.7838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5236    4.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5369    2.6937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7303    4.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9504    4.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1571    4.8300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1437    6.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9237    6.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7170    6.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4819    5.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4819    7.3827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685    8.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1487    7.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685    9.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0551   10.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0551   11.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685   12.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4819   11.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4819   10.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5230    5.8410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381    5.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6298    4.3226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2616    6.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8766    6.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5084    8.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8933    9.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7699    8.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  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  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 19  2  1  0  0  0  0
 20 15  1  0  0  0  0
 21 13  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30  5  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 39 34  1  0  0  0  0
 40  4  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 41  1  0  0  0  0
 44 43  2  0  0  0  0
 45 44  1  0  0  0  0
 46 45  2  0  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 48 43  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-10-14, 772👍, 0💬