Molecule Editor

Molecule ID: FYI-1014204 Edit

Molecule Structure InChIKey: YVDRMEUQERYZEY-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(c1ccc(OCC(O)CO)cc1)c3ccc(OC2CO2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014204
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.8871   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   10.5000    0.0000 C   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  1  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
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
 23 12  1  0  0  0  0
 24  8  1  0  0  0  0
 25 24  2  0  0  0  0
 25  5  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014204-3D
FYIcenter.com

 49 51  0  0  1  0  0  0  0  0999 V2000
    0.8649    0.1403    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053    0.0857   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8640    1.5296   -0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9700   -0.3929    1.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -1.7658    1.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208   -2.2146    2.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0090   -1.3046    3.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5464   -1.6078    4.9985 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8378   -2.9801    5.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5444   -3.1208    6.5962 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7539   -4.5092    6.8794 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8775   -2.3549    6.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5536   -2.5358    7.8685 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8434    0.0575    3.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3277    0.5073    2.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617   -0.8045   -1.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9591   -1.4581   -2.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4051   -2.2018   -3.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7673   -2.3066   -3.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3002   -3.0244   -4.5223 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5313   -3.0297   -5.7387 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3547   -2.9802   -7.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5950   -1.8521   -6.5548 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6813   -1.7034   -2.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2369   -0.9564   -1.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701    0.8064    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4410   -0.8465    0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3815    0.5223   -0.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    2.2733    0.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623    1.8107   -1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9525    1.6405   -0.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039   -2.5094    0.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7060   -3.2868    2.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4861   -3.3910    4.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9099   -3.5667    5.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9013   -2.7308    7.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -4.8069    6.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -1.2820    6.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5523   -2.7234    5.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8834   -2.5251    8.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1217    0.7793    4.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2131    1.5803    2.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6273   -3.6294   -5.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968   -3.5183   -7.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4317   -2.9229   -6.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7473   -1.7995   -2.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -0.4876   -0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
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  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  3 29  1  0  0  0  0
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  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  2  0  0  0  0
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  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  2  0  0  0  0
 17 18  2  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  1  0  0  0  0
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 21 23  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
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 22 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$