Molecule FYI-1013645

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A

Molecule Summary:

ID: FYI-1013645
Names:
InChIKey: AIQRJSXKXVZCJO-UHFFFAOYSA-N
SMILES: C#CCOc1ccccc1

Received at FYIcenter.com on: 2025-01-20

Molecule ID: FYI-1013645 Edit

Molecule Structure InChIKey: AIQRJSXKXVZCJO-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CCOc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1013645
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0976    4.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1487    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9143    6.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9925    7.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013645-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    0.9644   -0.3481    0.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585   -0.1845    0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8955    1.0985    0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1773   -1.2998    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2513    1.2662   -0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5330   -1.1321   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0701    0.1509   -0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8535    0.6695    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1867    0.1158   -0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2811   -0.3365   -0.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3001    1.9930    0.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7646   -2.3017    0.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6714    2.2649   -0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1706   -2.0006   -0.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1260    0.2815   -0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065    1.1096   -0.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135    1.4563    0.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2518   -0.7380   -0.5293 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
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  2  0  0  0  0
  4 12  1  0  0  0  0
  5  7  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  3  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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2025-02-16, 702👍, 0💬