Molecule Editor

Molecule ID: FYI-1016383 Edit

Molecule Structure InChIKey: NJEVEUSTIXXWMI-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1c3c2cc(I)c(O)c(I)c2oc4c(I)c(=O)c(I)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1016383
FYIcenter.com

 34 37  0  0  0  0  0  0  0  0999 V2000
    9.6543    4.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4475    3.4837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2406    4.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2217    5.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0339    3.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8271    4.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8271    5.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0339    6.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5808    5.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4475    6.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6543    5.5739    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.4475    7.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6543    8.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2406    8.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2406    9.7543    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0339    7.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8271    8.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6203    7.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6203    6.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135    5.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    6.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5739    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    7.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135    8.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135    9.7543    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6203    3.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135    4.1804    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6203    2.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135    1.3935    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8271    1.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8271    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0339    2.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2406    1.3935    0.0000 Cl  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  2  0  0  0  0
  5  3  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  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19  7  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 25 18  1  0  0  0  0
 26 25  1  0  0  0  0
 27  6  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 33 31  2  0  0  0  0
 33  5  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016383-3D
FYIcenter.com

 40 43  0     0  0  0  0  0  0999 V2000
    5.3278    1.5911    0.1531 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537   -3.0111   -0.0495 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.6335    5.4367    0.5390 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9573   -5.4089    0.0767 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1588   -0.0508    3.0632 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.4022    0.5304   -2.2739 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2902    0.2829    3.1679 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.9201    0.5749    0.4941 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8738   -0.3706    0.1598 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6511    4.3041    0.3526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0631    1.4591   -2.4839 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2291   -5.0686   -0.0425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2139   -0.8219   -2.7546 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0389   -0.0610    0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9627    1.1003    0.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5854   -1.3065    0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4192    0.0936    0.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3361    0.8828    0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0461   -1.4874    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1389    0.2227   -0.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5075    2.4265    0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2496   -2.5132    0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0781    0.1120    1.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2423    1.9478    0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5971   -2.7147    0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4079    3.4955    0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7763    3.2560    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2613   -3.7497    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7391   -3.9451    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1880    0.3896    0.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4355    0.2021   -2.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    1.5703   -3.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592    2.6325    0.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285   -2.4073    0.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5559    3.9518    0.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.2117   -4.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5721    1.0079   -3.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1354    2.6257   -3.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 23  1  0  0  0  0
  6 29  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 27  1  0  0  0  0
 10 37  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 30  2  0  0  0  0
 13 33  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 21  2  0  0  0  0
 16 19  1  0  0  0  0
 16 22  1  0  0  0  0
 17 20  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 25  2  0  0  0  0
 20 29  1  0  0  0  0
 20 33  1  0  0  0  0
 21 26  1  0  0  0  0
 21 35  1  0  0  0  0
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 31 32  1  0  0  0  0
 34 38  1  0  0  0  0
 34 39  1  0  0  0  0
 34 40  1  0  0  0  0
M  END
$$$$