Molecule FYI-1005048

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Molecule Summary:

ID: FYI-1005048
Names:
InChIKey: SOYWOKSOKVRZRZ-UHFFFAOYSA-N
SMILES: COc1cc(O)ccc1C

Received at FYIcenter.com on: 2023-10-11

Molecule ID: FYI-1005048 Edit

Molecule Structure InChIKey: SOYWOKSOKVRZRZ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1cc(O)ccc1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005048
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4250    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    0.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.0000    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
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005048-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    1.9922   -0.7821    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7503   -1.2522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6139    1.1791   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7563   -0.2084   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6590    1.7497    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3741   -1.0255   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6471   -0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8126    2.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7894    0.9326    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450   -2.2072    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7874    2.8288    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3264   -2.1092   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197    1.8890    0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    1.8864   -0.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5357    3.1289   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7784    1.3827    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6057   -2.6282   -0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6054   -2.6284    0.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1032   -2.4894    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4705   -2.1836   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$

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2023-10-27, 2406👍, 0💬