Molecule FYI-1012012

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Molecule Summary:

ID: FYI-1012012
Names:
InChIKey: SMUNJBNGTHEKIO-UHFFFAOYSA-N
SMILES: COc1cccc2OOCc12

Received at FYIcenter.com on: 2024-08-14

Molecule ID: FYI-1012012 Edit

Molecule Structure InChIKey: SMUNJBNGTHEKIO-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1cccc2OOCc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1012012
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    5.8901    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4652    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4652    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012012-3D
FYIcenter.com

 19 20  0     0  0  0  0  0  0999 V2000
    2.4197   -1.3617    0.0973 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5100    0.1204   -0.0458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520   -1.2219   -0.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3130   -0.4650   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0357   -1.7428   -0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2229    0.5658   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0463   -0.2113   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347    1.8907   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4700    1.1202    0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5334    2.1663    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3342   -0.8606    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7663   -2.3974    0.7814 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155   -2.2585   -1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5628    2.6939   -0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5139    1.4163    0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8767    3.1973    0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9119   -1.7906    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6119   -0.3028   -0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5987   -0.3239    0.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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2024-09-28, 1066👍, 0💬