Molecule FYI-1000234

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Molecule Summary:

ID: FYI-1000234
SMILES: O=Cc1ccc(cc1)C(=O)OC

Received at FYIcenter.com on: 2021-01-25

Molecule ID: FYI-1000234 Edit

Molecule Structure SMILES String: O=Cc1ccc(cc1)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000234
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    8.4871    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    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
    3.6373    3.5000    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
    4.8498    1.4000    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  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  9  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000234-3D
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.0990   -0.5253    0.1912 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1638    0.0635    0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590    0.5023    1.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032    0.2523    2.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2636    0.6675    3.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4822    1.3288    3.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9349    1.5692    2.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1718    1.1629    1.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3395    1.7738    4.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5427    1.9518    4.4460 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5874    2.0025    5.6548 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3360    2.5132    6.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5810    0.2931   -0.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600   -0.2682    2.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9040    0.4603    4.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8829    2.0795    1.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5350    1.3646    0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396    2.7217    7.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8378    3.4478    6.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.7692    7.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$

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2021-02-17, 2595👍, 0💬