Molecule FYI-1006969

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A

Molecule Summary:

ID: FYI-1006969
Names:
InChIKey: WRMNZCZEMHIOCP-UHFFFAOYSA-N
SMILES: OCCc1ccccc1

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006969 Edit

Molecule Structure InChIKey: WRMNZCZEMHIOCP-UHFFFAOYSA-N

Molecule Structure SMILES String: OCCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006969
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006969-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    2.5403    0.9305   -0.7926 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5906   -0.5680    0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1890   -0.2714    0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5995   -0.4006   -0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3119    1.0257    0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6210   -1.2908   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6225    1.3035    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317   -1.0130   -0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4323    0.2841   -0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6576   -1.5876    1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653    0.0978    1.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3758   -1.0805   -1.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6175   -0.6024    0.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3070    1.8297    0.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2420   -2.3050   -0.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0126    2.3133    0.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5623   -1.8064   -0.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4528    0.5003   -0.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7737    1.5262   -0.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6 15  1  0  0  0  0
  7  9  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$

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2024-01-31, 229👍, 0💬