Molecule FYI-1003715

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A

Molecule Summary:

ID: FYI-1003715
Names:
InChIKey: YVCOJTATJWDGEU-CBAPKCEASA-N
SMILES: C[C@@H]1O[C@@H]1c2ccccc2

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

Molecule ID: FYI-1003715 Edit

Molecule Structure InChIKey: YVCOJTATJWDGEU-CBAPKCEASA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003715
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  1  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  1  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-1003715-3D
FYIcenter.com

 20 21  0     1  0  0  0  0  0999 V2000
    2.2461   -0.9389    0.4087 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790    0.0765    0.9160 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4549    0.3950   -0.0729 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0399    0.0271    0.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1333    0.5863   -1.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8249    1.1795    0.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5840   -1.1724    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1539    1.1327    0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9130   -1.2192   -0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6978   -0.0666   -0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5548    0.3827    1.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3261    0.9402    0.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0546    0.5532   -2.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4665   -0.1831   -1.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6721    1.5656   -1.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4104    2.1190    0.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0058   -2.0844   -0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7650    2.0300    0.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3373   -2.1532   -0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7326   -0.1032   -0.7064 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
$$$$

✍: FYIcenter.com

2023-07-29, 2024👍, 0💬