Molecule FYI-1004060

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Molecule Summary:

ID: FYI-1004060
Names:
InChIKey: IANQTJSKSUMEQM-UHFFFAOYSA-N
SMILES: c2ccc1occc1c2

Received at FYIcenter.com on: 2023-08-09

Molecule ID: FYI-1004060 Edit

Molecule Structure InChIKey: IANQTJSKSUMEQM-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc1occc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004060
FYIcenter.com

  9 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.8326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2932    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9009    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.2652    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
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  1  1  0  0  0  0
  9  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004060-3D
FYIcenter.com

 15 16  0     0  0  0  0  0  0999 V2000
   -1.5396   -1.1283    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759    0.7444   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2648   -0.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9536    1.4259   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6454    1.1193   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8954   -1.4189   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1380    0.6762    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1067   -0.7206   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3680   -0.0514    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9937    2.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0548    2.1195   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8632   -2.5019   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0954    1.1910    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0416   -1.2757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4246   -0.2759    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 355👍, 0💬