Molecule FYI-1004081

A

Molecule Summary:

ID: FYI-1004081
Names:
InChIKey: FKOXPSLKCXMDEI-UHFFFAOYSA-N
SMILES: O=C4c1ccccc1C(=O)C(C3C(=O)c2ccccc2C(=O)C3O)C4O

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

Molecule ID: FYI-1004081 Edit

Molecule Structure InChIKey: FKOXPSLKCXMDEI-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C4c1ccccc1C(=O)C(C3C(=O)c2ccccc2C(=O)C3O)C4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004081
FYIcenter.com

 26 29  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   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  1  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
  8 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 19  1  0  0  0  0
 13 15  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 17 23  2  0  0  0  0
 16 20  2  0  0  0  0
 18 24  2  0  0  0  0
 15 25  2  0  0  0  0
 19 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004081-3D
FYIcenter.com

 40 43  0  0  1  0  0  0  0  0999 V2000
    1.1584   -0.1184   -0.0449 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3833   -0.1124    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1616   -1.3484   -0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5633   -2.5980   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3192   -3.7605   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661   -3.6733   -0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594   -2.4226   -0.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5059   -1.2582   -0.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1410    0.0540   -0.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3287    0.1004   -1.1468 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2408    1.2845   -0.8384 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0438    2.6024   -0.7430 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9747    2.6358    0.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8422    1.8910    1.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0223    3.6846    0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7829    3.8671    1.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7358    4.8834    1.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9276    5.7232    0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1753    5.5424   -0.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2310    4.5132   -0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4608    4.2873   -1.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3302    5.1720   -2.7035 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8484    2.8975   -2.0086 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0137    2.7802   -3.1552 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081    1.1389    0.2800 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4084    2.3139    0.3597 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151   -2.6730    0.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8593   -4.7342   -0.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2562   -4.5781   -0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3079   -2.3691   -1.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    1.2872   -1.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3268    3.4256   -0.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6294    3.2256    2.5112 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3262    5.0227    2.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6692    6.5177    0.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3364    6.1954   -1.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875    2.2091   -2.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5466    3.6305   -3.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6600    0.9915    1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6956    2.2313   -0.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 26  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
M  END
$$$$

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2023-09-05, 2687👍, 0💬