Molecule FYI-1009578

A

Molecule Summary:

ID: FYI-1009578
Names:
InChIKey: JJKUCTOYZCODJZ-UHFFFAOYSA-N
SMILES: COc1ccccc1O.C=C.C=C.Oc1ccccc1.O=CCC=O

Received at FYIcenter.com on: 2024-05-16

Molecule ID: FYI-1009578 Edit

Molecule Structure InChIKey: JJKUCTOYZCODJZ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccccc1O.C=C.C=C.Oc1ccccc1.O=CCC=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009578
FYIcenter.com

 25 22  0  0  0  0  0  0  0  0999 V2000
    8.0933    1.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0208    2.7575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7053    2.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6328    3.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    2.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0741    1.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1465    0.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4621    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5345    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0764   10.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7608   10.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6620    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4189    5.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8988    7.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009578-3D
FYIcenter.com

 51 48  0  0  0  0  0  0  0  0999 V2000
    2.5955    1.0955    3.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2134    0.7970    1.9626 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8467    1.8590    1.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1847    3.0601    1.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8190    4.0690    0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1264    3.8901   -0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7947    2.6919    0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1465    1.6760    0.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7826    0.4861    1.1015 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6342    1.5864   -2.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    1.7115   -2.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0321   -1.9343   -1.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8978    1.1128    0.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 29  1  0  0  0  0
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  6  7  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
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 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
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 15 20  2  0  0  0  0
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 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 19  2  0  0  0  0
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 19 20  1  0  0  0  0
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 21 22  2  0  0  0  0
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 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 25  2  0  0  0  0
 24 51  1  0  0  0  0
M  END
$$$$

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2024-05-16, 174👍, 0💬