Molecule FYI-1004078

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A

Molecule Summary:

ID: FYI-1004078
Names:
InChIKey: OBGBGHKYJAOXRR-UHFFFAOYSA-N
SMILES: COc2cc(=O)c1ccccc1c2=O

Received at FYIcenter.com on: 2023-08-10

Molecule ID: FYI-1004078 Edit

Molecule Structure InChIKey: OBGBGHKYJAOXRR-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2cc(=O)c1ccccc1c2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004078
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  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
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  2  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-1004078-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
   -3.1440   -0.2174   -0.3586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2084   -2.1950   -0.2329 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3566    2.9112   -0.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5998   -0.6911   -0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0118    0.6422    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8319   -1.0300   -0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0219    1.7339   -0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8035    0.0895   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5491   -1.7180    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720    0.9499    0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4024    1.3615   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9045   -1.4075    0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3150   -0.0768    0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7406   -0.3522    0.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2543   -2.7630   -0.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7162    1.9795    0.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187    2.1756   -0.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410   -2.2045    0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3708    0.1614    0.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7924   -0.6183    0.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7049    0.5900    1.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2673   -1.1512    1.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
$$$$

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2023-09-05, 2048👍, 0💬