Molecule FYI-1013299

A

Molecule Summary:

ID: FYI-1013299
Names:
InChIKey: NBYNVBRXIUUSIG-UHFFFAOYSA-N
SMILES: O=C(O)c1ccccc1C(=O)c3ccc(c2ccccc2)cc3

Received at FYIcenter.com on: 2024-12-05

Molecule ID: FYI-1013299 Edit

Molecule Structure InChIKey: NBYNVBRXIUUSIG-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c1ccccc1C(=O)c3ccc(c2ccccc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013299
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013299-3D
FYIcenter.com

 37 39  0     0  0  0  0  0  0999 V2000
    2.1554   -0.1375   -2.4548 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2754    2.6134    1.2795 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6844    2.3094   -0.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3075   -0.1241   -0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -0.2486   -0.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -0.5882   -0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7082   -0.0590    0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8011   -0.3130   -1.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3495   -0.3852    0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9151    0.0747   -1.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0009   -0.4473    0.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5649    0.0124   -1.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4700    0.4540    0.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2162   -1.9048   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4919   -1.2123    0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2748    1.1571    0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4658    0.1660    1.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2122   -2.1927    0.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8370   -1.1574    1.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8422   -1.1495    0.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6250    1.2200    0.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4087    0.0666    0.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1047    1.8462    0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6387   -0.5423    1.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6492    0.2793   -2.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7127   -0.6522    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2854    0.1713   -2.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7335   -2.7150   -0.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0661   -2.1685   -0.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6782    2.0657    0.5405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9814    0.9501    1.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5016   -3.2231    1.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6145   -1.3819    2.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4525   -2.0474    0.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0663    2.1667    1.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4601    0.1156    1.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0266    3.5486    1.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 23  1  0  0  0  0
  2 37  1  0  0  0  0
  3 23  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 17  2  0  0  0  0
 13 23  1  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 20  1  0  0  0  0
 15 29  1  0  0  0  0
 16 21  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  2  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-12-18, 851👍, 0💬