Molecule FYI-1002395

A

Molecule Summary:

ID: FYI-1002395
Names:
InChIKey: WHZSJYBTVUJQRU-UHFFFAOYSA-N
SMILES: COC(=O)C4CC3c1ccccc1Oc2ccccc2C3C4C(=O)c5ccccc5

Received at FYIcenter.com on: 2023-03-13

Molecule ID: FYI-1002395 Edit

Molecule Structure InChIKey: WHZSJYBTVUJQRU-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)C4CC3c1ccccc1Oc2ccccc2C3C4C(=O)c5ccccc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002395
FYIcenter.com

 30 34  0  0  0  0  0  0  0  0999 V2000
    4.2930    6.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0014    5.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6676    4.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6254    5.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2916    5.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0423    2.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0436    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
 30 16  1  0  0  0  0
 30  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002395-3D
FYIcenter.com

 52 56  0  0  1  0  0  0  0  0999 V2000
    0.5276    0.6035    0.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7361    1.2140    0.9283 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7531    0.3789    1.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7478   -0.8323    1.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7845    1.2401    2.0651 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1602    1.4717    3.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9363    0.5058    4.5028 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9509    1.1313    5.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1405    2.5115    5.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1610    3.0477    6.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9692    2.2102    7.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7841    0.8341    7.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6837   -1.0814    6.2416 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8595   -2.4211    2.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074   -1.4957    3.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6863   -0.3894    3.4873 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1453    0.6961    2.4934 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4537    0.7343    1.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 30 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 1857👍, 0💬