Molecule FYI-1001310

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A

Molecule Summary:

ID: FYI-1001310
SMILES: CC1=CC=C(C1)C

Received at FYIcenter.com on: 2022-05-11

Molecule ID: FYI-1001310 Edit

Molecule Structure SMILES String: CC1=CC=C(C1)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001310
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001310-3D
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.9509    0.0176   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330    0.0154   -0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2811    1.0587   -0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6391    0.5694   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6283   -0.7738   -0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2099   -1.2717   -0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7727   -1.7155   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5469    1.0347   -0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5732   -0.5007    0.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5711   -0.4971   -0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162    2.1054   -0.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5106    1.2064   -0.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9929   -1.8658    0.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0025   -1.8567   -0.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7315   -1.1882   -0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7410   -2.3574   -0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7310   -2.3529    0.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
$$$$

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2022-05-15, 479👍, 0💬