Molecule FYI-1002774

Home > Molecule

A

Molecule Summary:

ID: FYI-1002774
Names:
InChIKey: YYVYAPXYZVYDHN-UHFFFAOYSA-N
SMILES: O=c2c(=O)c1ccccc1c3ccccc23

Received at FYIcenter.com on: 2023-04-21

Molecule ID: FYI-1002774 Edit

Molecule Structure InChIKey: YYVYAPXYZVYDHN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2c(=O)c1ccccc1c3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002774
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 O   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
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    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
    0.0000    4.2000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    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
    4.8498    2.8000    0.0000 C   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  3  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
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  2  1  0  0  0  0
 16 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002774-3D
FYIcenter.com

 24 26  0     0  0  0  0  0  0999 V2000
    1.3173    2.7983    0.0048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3175    2.7982   -0.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7430   -0.7767   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7430   -0.7767    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4664    0.4317   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4665    0.4317   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    1.7175    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483    1.7174   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5077   -1.9609   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5077   -1.9610    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8699    0.4596   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8698    0.4595   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9076   -1.9394   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9074   -1.9396    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5883   -0.7298   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5882   -0.7299    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401   -2.9414   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0400   -2.9415    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4160    1.3992   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4160    1.3991   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4616   -2.8740   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4615   -2.8741    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6738   -0.7131   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6736   -0.7132    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  2  0  0  0  0
 13 21  1  0  0  0  0
 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-26, 1501👍, 0💬