Molecule Editor

Molecule ID: FYI-1014435 Edit

Molecule Structure InChIKey: RMMVSSHXKVCXSU-OBGWFSINSA-N

Molecule Structure SMILES String: CCOc2c(C/C=C(C)/CS(=O)(=O)c1ccccc1)c(C)c(OC)c3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1014435
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.3373    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24  2  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014435-3D
FYIcenter.com

 58 60  0  0  0  0  0  0  0  0999 V2000
    1.4882    0.6413   -2.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5128    0.0129   -1.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1408    0.9580   -0.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5234    1.0827   -1.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4288   -0.0103   -1.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -1.4330   -1.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4821   -2.3847   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802   -2.5898    1.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0123   -1.6574    1.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781   -3.8946    1.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1738   -3.6383    3.4427 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4016   -2.9306    3.1443 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2565   -3.1652    4.4648 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6224   -5.2933    3.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9705   -5.6262    4.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3143   -6.9069    4.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3171   -7.8454    4.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9718   -7.5109    4.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6178   -6.2306    4.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8033    0.2631   -1.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7171   -0.8510   -1.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2770    1.5972   -1.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5586    1.9865   -1.6727 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6716    1.2717   -1.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3828    2.6786   -1.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8289    4.0214   -1.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9494    5.0914   -0.8798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5932    4.8433   -0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1267    3.5290   -0.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9957    2.4217   -0.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0608   -0.1361   -3.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9545    1.4008   -3.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6810    1.1097   -2.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2178   -0.5035   -2.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8601   -1.4506   -0.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1754   -1.7227   -2.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3135   -0.5250   -2.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8960    5.6672   -0.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0557    3.3648   -0.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 30  2  0  0  0  0
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  6  7  1  0  0  0  0
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  7  8  2  0  0  0  0
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 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
M  END
$$$$