Molecule FYI-1005108

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A

Molecule Summary:

ID: FYI-1005108
Names:
InChIKey: OSFZDFIHIYXIEL-LURJTMIESA-N
SMILES: CC1=C(C)[C@H](C)OC1=O

Received at FYIcenter.com on: 2023-10-13

Molecule ID: FYI-1005108 Edit

Molecule Structure InChIKey: OSFZDFIHIYXIEL-LURJTMIESA-N

Molecule Structure SMILES String: CC1=C(C)[C@H](C)OC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005108
FYIcenter.com

  9  9  0  0  1  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    0.1306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3184    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2976    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    1.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  4  9  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005108-3D
FYIcenter.com

 19 19  0     1  0  0  0  0  0999 V2000
   -0.0073   -1.4818    0.3158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2352   -1.0883   -0.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -0.6723    0.3794 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6687    0.7073    0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6520    0.7078   -0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1540   -1.1596   -0.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0889   -0.6938    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5957    1.8728    0.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6100    1.8081   -0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6062   -0.7767    1.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7242   -1.0864   -1.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0876   -0.5891   -0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904   -2.2170   -0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1520    1.8851    1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0701    2.8278    0.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3135    1.8169   -0.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1351    1.6401   -1.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1186    2.7825   -0.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3542    1.8616    0.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
$$$$

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2023-10-27, 2648👍, 0💬