Molecule FYI-1003712

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A

Molecule Summary:

ID: FYI-1003712
Names:
InChIKey: YVCOJTATJWDGEU-VXNVDRBHSA-N
SMILES: C[C@H]1O[C@H]1c2ccccc2

Received at FYIcenter.com on: 2023-07-21

Molecule ID: FYI-1003712 Edit

Molecule Structure InChIKey: YVCOJTATJWDGEU-VXNVDRBHSA-N

Molecule Structure SMILES String: C[C@H]1O[C@H]1c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003712
FYIcenter.com

 10 11  0  0  1  0  0  0  0  0999 V2000
    3.1248    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    5.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   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  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  6  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003712-3D
FYIcenter.com

 20 21  0     1  0  0  0  0  0999 V2000
    2.2512   -0.9309   -0.4140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3808    0.0862   -0.9124 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4576    0.3998    0.0770 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0386    0.0317   -0.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1196    0.5642    1.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5822   -1.1718   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8247    1.1837   -0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9118   -1.2234    0.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542    1.1321   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6976   -0.0716    0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5557    0.4005   -1.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3279    0.9510   -0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4660   -0.2234    1.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0370    0.5414    2.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6390    1.5325    1.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0086   -2.0834    0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4106    2.1263   -0.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3357   -2.1607    0.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7663    2.0289   -0.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7329   -0.1118    0.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  2  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

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2023-07-29, 862👍, 0💬