Molecule FYI-1006134

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A

Molecule Summary:

ID: FYI-1006134
Names:
InChIKey: UVCWQNZMIZWZOH-UHFFFAOYSA-N
SMILES: COc1ccc(C(=O)OC(C)C)cc1

Received at FYIcenter.com on: 2023-11-28

Molecule ID: FYI-1006134 Edit

Molecule Structure InChIKey: UVCWQNZMIZWZOH-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccc(C(=O)OC(C)C)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006134
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    0.0000    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  1  0  0  0  0
  4  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5 11  1  0  0  0  0
  5  7  2  0  0  0  0
  2 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006134-3D
FYIcenter.com

 28 28  0     0  0  0  0  0  0999 V2000
   -2.0925    0.5615    0.0192 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1194    0.0484   -0.2627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9683   -1.6410    0.6772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5191    0.5248    0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0837    1.8958   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0668   -0.5572   -0.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0183   -0.4248    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4185   -0.5907    0.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8123   -1.5143   -0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6024    0.8239    0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7746   -0.1064   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904   -1.3551   -0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9806    0.9832    0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6509    1.3520   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    0.2993    1.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1726    1.9183   -0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6527    2.6587    0.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8235    2.1810   -1.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1383   -0.4082   -0.9608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9740   -1.5631   -0.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5584   -0.5526   -1.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3727   -2.4934   -0.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0100    1.6873    0.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8038   -2.2073   -0.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3692    1.9792    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4953    1.6711    1.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2628    2.0793   -0.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7330    1.2926   -0.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 22  1  0  0  0  0
 10 13  2  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

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2023-12-08, 1668👍, 0💬