Molecule Editor

Molecule ID: FYI-1015310 Edit

Molecule Structure InChIKey: FQTLCLSUCSAZDY-KAMYIIQDSA-N

Molecule Structure SMILES String: C=CC(C)(O)CC/C=C(C)\CC/C=C(C)/C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015310
FYIcenter.com

 42 41  0  0  0  0  0  0  0  0999 V2000
    3.6528    2.1089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4352    4.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6528    4.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6528    6.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704    7.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0880    6.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2176    3.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2176    2.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3056    7.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704    8.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3056    8.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2176    0.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0880    9.1388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5232   11.9507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1172   10.5447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9584    7.7328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4438    9.6534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
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  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
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  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
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 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015310-3D
FYIcenter.com

 42 41  0     1  0  0  0  0  0999 V2000
   -4.3268   -0.4002   -1.0632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2180   -0.4290   -0.1544 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4025    0.8777   -0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1425    0.9624    0.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240    2.2674    0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8329    2.4340   -0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7234    1.3006   -0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8097   -0.4756    1.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3949   -1.6456   -0.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131    0.7758    0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4281    3.8116   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5435   -0.2941    0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138   -1.6197    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1420   -2.7167    0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0296   -2.2900    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3760   -2.5586   -0.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187    0.9857   -1.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0576    1.7371   -0.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4915    0.1057    0.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7405    4.5923    0.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2952   -2.0354   -0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$