Molecule FYI-1007545

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A

Molecule Summary:

ID: FYI-1007545
Names:
InChIKey: CLMMQFLORILSEN-UHFFFAOYSA-N
SMILES: Oc2ccc(CC1C=CC=CC1)cc2O

Received at FYIcenter.com on: 2024-02-29

Molecule ID: FYI-1007545 Edit

Molecule Structure InChIKey: CLMMQFLORILSEN-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc2ccc(CC1C=CC=CC1)cc2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007545
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2125    2.8000    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
    0.0000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007545-3D
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
    1.8102   -1.3113   -0.2086 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6017   -0.6823   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1990   -0.1350    1.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0371    0.5129    1.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8799    0.6188    0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1879    1.3796    0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4684    0.5746   -0.1397 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.6902   -0.5470    0.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7297   -0.5865    1.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7157    0.4610    1.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7139    1.4472    0.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6869    1.5375   -0.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4590    0.0647   -1.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2246   -0.5849   -1.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1918   -1.1224   -2.4032 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2645   -1.2750    0.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8324   -0.1951    1.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3342    0.9447    2.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1040    2.2341   -0.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2850    1.8124    1.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3366    0.1082   -1.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9653   -1.3574    0.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8516   -1.4167    2.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4827    0.4123    2.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4876    2.2086    0.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3496    2.5792   -0.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2021    1.3275   -1.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0895    0.1537   -2.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860   -0.9668   -3.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  2  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$

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2024-03-17, 178👍, 0💬