Molecule Editor

Molecule ID: FYI-1015865 Edit

Molecule Structure InChIKey: FZTIWOBQQYPTCJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c3ccc(c2ccc(c1ccc(C(=O)O)cc1)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015865
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.5664    1.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1951    1.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1509    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5449    0.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9369    1.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3502    2.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3718    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9798    3.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5412    3.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3368    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7565    0.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5657    1.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9552    3.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3949    4.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7150    5.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2555    6.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8544    4.5522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2930    5.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9532    5.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7152    3.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8169    2.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1568    3.4789    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
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  1  9  1  0  0  0  0
  1  5  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 11 15  1  0  0  0  0
 10 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  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
 23 24  2  0  0  0  0
 16 24  1  0  0  0  0
 16 20  2  0  0  0  0
 14 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015865-3D
FYIcenter.com

 38 40  0     0  0  0  0  0  0999 V2000
   -7.6081   -1.0719    0.6058 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6081   -1.0718   -0.6054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8005    0.8900   -0.5259 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8004    0.8901    0.5263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3948    0.0185   -0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948    0.0184    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8418    0.0182   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416    0.0182    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6974    1.2265   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975    1.2264    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6975   -1.1895   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974   -1.1895    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375    1.0642   -0.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5374    1.0641    0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5408   -1.0278    0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5409   -1.0280   -0.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6315    0.0179   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9323    1.0639    0.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9357   -1.0280    0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9358   -1.0280   -0.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0857    0.0181   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0858    0.0182    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1971   -2.1540   -0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1971   -2.1540    0.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367    1.8837   -1.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0365    1.8836    1.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0423   -1.8470    1.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0426   -1.8472   -1.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4565    1.8846   -1.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4562    1.8845    1.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4404   -1.8582    1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4407   -1.8581   -1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5890   -1.0625    0.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5891   -1.0624   -0.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 37  1  0  0  0  0
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  2 38  1  0  0  0  0
  3 23  2  0  0  0  0
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  8 16  1  0  0  0  0
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  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
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 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 19  1  0  0  0  0
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 15 21  2  0  0  0  0
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 16 22  2  0  0  0  0
 16 32  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 18 24  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$