Molecule FYI-1002430

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A

Molecule Summary:

ID: FYI-1002430
Names:
InChIKey: ULAGGPJVDRGWTI-UHFFFAOYSA-N
SMILES: C1COCOCO1

Received at FYIcenter.com on: 2023-03-21

Molecule ID: FYI-1002430 Edit

Molecule Structure InChIKey: ULAGGPJVDRGWTI-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002430
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    0.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668    1.5729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    2.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    3.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002430-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
    1.4852    0.5785   -0.1340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9944   -1.0659    0.4029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7685    1.2219   -0.4033 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3778   -0.8139    0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -1.4339   -0.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4078    1.3556    0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6170    0.1578    0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4362   -0.9555    1.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2515   -1.2947   -0.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0659   -1.1487   -1.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1907   -2.5243   -0.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2272    1.1439    1.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7180    2.4022    0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3144   -0.0532   -0.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138    0.5069    0.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$

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2023-04-05, 443👍, 0💬