Molecule FYI-1006904

A

Molecule Summary:

ID: FYI-1006904
Names:
InChIKey: LKCVEORRYWUEAO-UHFFFAOYSA-N
SMILES: CC(=O)CCC3C2C=C1C(C)C(=O)OC1(O)CC23C

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006904 Edit

Molecule Structure InChIKey: LKCVEORRYWUEAO-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)CCC3C2C=C1C(C)C(=O)OC1(O)CC23C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006904
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    3.2203    1.3741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7298    1.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7236    1.2433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6102    6.9513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2636    3.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9651    4.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5621    4.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5621    2.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1591    2.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1801    5.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1591    4.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4786    2.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4576    3.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0853    3.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1801    6.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9386    1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0426    4.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3952    7.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3952    9.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6912    4.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5621    6.2498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5621    1.0138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5710    1.7867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5831    5.5483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9390    4.3400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4576    6.0618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2998    4.2650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6937    2.2288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9525    1.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755    2.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7772    6.9513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4787    8.1663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9051    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1038    3.2362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9814    5.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9922    9.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3952   10.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7982    9.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2  9  1  0  0  0  0
  2 33  1  0  0  0  0
  3 16  2  0  0  0  0
  4 18  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  2  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006904-3D
FYIcenter.com

 39 41  0     1  0  0  0  0  0999 V2000
    2.9049    0.8823   -1.1065 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3203    1.9723    0.8885 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7445   -0.3751   -1.6096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5268   -0.7252    0.6091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5513    0.8573    0.3823 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2738   -0.4675    0.1654 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2982   -0.3350    1.3028 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5470    1.2157   -0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    0.9581   -0.0416 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7286   -0.6388    0.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0229   -0.9693    1.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2839    2.0413    0.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0746   -0.3698    0.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4418   -0.9074    0.3745 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5912   -0.2279   -0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7892   -0.1387   -0.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5342   -2.4084    0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0784   -0.3575   -0.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9973   -0.0066   -1.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6968   -0.2924    2.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9712   -1.0800   -0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4528    2.2655   -0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4094    0.6337   -1.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0398   -0.0886    1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9141   -1.6967    0.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1264   -1.9614    1.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9295    1.7748    1.7965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9014    2.5143    0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5702    2.7861    1.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1249   -0.5820    1.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3893    0.8148   -1.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3490   -0.8542   -1.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9426    2.8152    0.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5524   -2.6947   -0.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2767   -2.9617    1.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -2.7390   -0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8000   -0.6693   -2.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8387    1.0348   -1.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0379   -0.1318   -1.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2  9  1  0  0  0  0
  2 33  1  0  0  0  0
  3 16  2  0  0  0  0
  4 18  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  2  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 1733👍, 0💬