Molecule Editor

Molecule ID: FYI-1004690 Edit

Molecule Structure InChIKey: ZWLPEBJRXRJYRA-HEMGAFMASA-N

Molecule Structure SMILES String: COCC1C=C/C2=C\CC(/C=C/C(C)Cl)CC1(O)NC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004690
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.7071    7.3164    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.5752    9.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4433    7.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3112    7.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793    7.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3498    6.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8751    4.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7945    3.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5451    6.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8464    7.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1422    8.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1832    2.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2419    1.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5565    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  2  0  0  0  0
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 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004690-3D
FYIcenter.com

 44 45  0  0  1  0  0  0  0  0999 V2000
    0.4963   -0.2113   -0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112    0.2358    0.8844 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3244   -0.7258    1.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1389   -0.2490    2.4290 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1721   -0.1355    3.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4043   -0.5096    4.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -1.0168    5.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8563   -2.3275    5.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0583   -3.1198    5.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7644   -3.6491    3.6675 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9766   -4.1761    2.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2077   -5.9787    1.6444 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8677   -7.1557    2.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8216   -0.1380    4.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$