Molecule FYI-1005531

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A

Molecule Summary:

ID: FYI-1005531
Names:
InChIKey: KVYWDANIDGXUSK-UHFFFAOYSA-N
SMILES: c1cc2cc3c1cc23

Received at FYIcenter.com on: 2023-11-02

Molecule ID: FYI-1005531 Edit

Molecule Structure InChIKey: KVYWDANIDGXUSK-UHFFFAOYSA-N

Molecule Structure SMILES String: c1cc2cc3c1cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005531
FYIcenter.com

  8 10  0  0  0  0  0  0  0  0999 V2000
    1.1983    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0942    2.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3795    1.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369    1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5795    1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5795    2.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369    2.6531    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
  6  1  1  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
  8  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005531-3D
FYIcenter.com

 12 14  0  0  0  0  0  0  0  0999 V2000
   -0.8622    1.1356    0.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9971    0.1261   -0.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2026   -0.5432   -0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7979   -0.9886    0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4741    0.1955    0.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4860    1.2701    0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3236    1.7917   -0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3925    0.4865   -0.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6550    1.7784    0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9315   -0.1574   -0.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2394   -1.9652    0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3221    2.7112   -0.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 1764👍, 0💬