Molecule Editor

Molecule ID: FYI-1001684 Edit

Molecule Structure SMILES String: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001684
FYIcenter.com

 47 48  0  0  0  0  0  0  0  0999 V2000
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    7.4669   -1.2300   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3321   -2.0311   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0801   -1.4579   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9491   -0.0634   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0943    0.7433   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6160    0.5508   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5091   -0.2319   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1190    1.5668   -0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.5128    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1190    1.5668    0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5091   -0.2319    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1996   -2.0833   -0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9989    1.8191   -0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1996   -2.0833    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0569   -1.9673   -0.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6999    2.6429    0.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7023    2.6429   -0.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0573   -1.9666    0.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 16 38  1  0  0  0  0
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 22 41  1  0  0  0  0
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 24 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001684-3D
FYIcenter.com

 47 48  0  0  0  0  0  0  0  0999 V2000
    5.8246   -3.3736   -4.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0686   -2.3524   -3.7972 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2927   -1.7603   -3.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4840   -1.9906   -4.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6300   -1.2555   -4.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6135   -0.2826   -3.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4384   -0.0195   -2.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988   -0.7725   -2.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807    0.9672   -1.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1272    2.0823   -1.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0150    3.0087   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2585    2.7701    0.8909 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8535    4.2579   -0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3339    3.9983   -0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0104    4.3541   -1.0758 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9508    3.3034    1.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2748    3.0828    1.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0272    2.4309    2.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4813    1.4436    2.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2326    0.8116    3.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5673    1.1904    4.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1273    2.1611    3.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3700    2.7697    2.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4478    0.7156    5.0852 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750   -0.0996    4.6708 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9007   -2.9834   -5.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5547   -1.4461   -4.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5367    0.2457   -2.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3734   -0.6007   -2.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6687    0.7483   -0.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8280    2.3560   -1.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6287    4.8686    0.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5660    4.8539   -0.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2970    3.0147    1.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8804    3.4256    0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8428    3.5164    1.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3721   -0.2153    6.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7732   -1.5503    5.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8621   -3.2265   -5.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  9 10  2  3  0  0  0
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 17 18  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 21  2  0  0  0  0
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M  END
$$$$