Molecule FYI-1003296

A

Molecule Summary:

ID: FYI-1003296
Names:
InChIKey: JSMRVXYDHGMPPA-UHFFFAOYSA-N
SMILES: COc4cccc(c3ncc(c1ccccc1OCc2ccccc2)o3)c4OC

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003296 Edit

Molecule Structure InChIKey: JSMRVXYDHGMPPA-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4cccc(c3ncc(c1ccccc1OCc2ccccc2)o3)c4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003296
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    5.8273    3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2599    4.8757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1273    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9946    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4273    3.5441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6631    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6502    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720    6.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    7.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6227    4.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0807    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6118    3.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5346    9.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5957   10.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3353   11.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0139   12.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9528   11.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 17 18  1  0  0  0  0
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 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003296-3D
FYIcenter.com

 50 53  0     0  0  0  0  0  0999 V2000
    0.8094   -1.0529    0.4038 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3562    1.0096    0.6757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7598   -1.6080   -1.5126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0961   -0.8312   -0.2708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1055   -2.4983   -1.0758 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545   -1.1457   -0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8159   -1.5927   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5421   -1.2450    0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3838    0.1377    0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090   -1.6450   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7361   -1.2361   -0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2251   -2.0163   -0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3929    2.2375   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2564   -2.4689   -1.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5343   -0.8616    1.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9886    2.7156   -0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5251   -1.6035    0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7543   -0.3201    0.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7206   -0.4694    2.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 19  1  0  0  0  0
 12 30  1  0  0  0  0
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 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
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 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

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2023-06-19, 917👍, 0💬