Molecule FYI-1004797

A

Molecule Summary:

ID: FYI-1004797
Names:
InChIKey: SYTBZMRGLBWNTM-SNVBAGLBSA-N
SMILES: C[C@@H](C(=O)O)c2ccc(c1ccccc1)c(F)c2

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004797 Edit

Molecule Structure InChIKey: SYTBZMRGLBWNTM-SNVBAGLBSA-N

Molecule Structure SMILES String: C[C@@H](C(=O)O)c2ccc(c1ccccc1)c(F)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004797
FYIcenter.com

 18 19  0  0  1  0  0  0  0  0999 V2000
    3.6373    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2999    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  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
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004797-3D
FYIcenter.com

 31 32  0     1  0  0  0  0  0999 V2000
   -0.7173   -0.9249    1.9199 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4350   -0.5394   -0.3100 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5304   -1.7672   -0.2791 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3450    0.6677   -0.2224 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8621    0.5114   -0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9124    0.2190   -0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2465   -0.1455    0.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0906    1.0220   -1.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1406   -0.2915    0.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2965    0.8758   -1.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9071    1.4793    0.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3513    0.0701   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0829   -0.6748   -0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9442   -1.0515   -0.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1459    1.0497    0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3317   -1.1935   -0.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5334    0.9075    0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1264   -0.2141   -0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    1.1917   -1.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8294   -0.5494    1.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5538    1.5365   -2.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8829    1.2800   -2.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3781    2.4334    1.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8074    0.9351    1.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9704    1.7023    0.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3396   -1.8244   -1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6999    1.9304    0.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7936   -2.0667   -1.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1523    1.6701    0.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2067   -0.3248   -0.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8883   -1.4089   -0.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 13  1  0  0  0  0
  2 31  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  2  0  0  0  0
  8 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-12, 1696👍, 0💬