Molecule FYI-1001109

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A

Molecule Summary:

ID: FYI-1001109
SMILES: CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(C3=CC=C(S(C)(=O)=O)C=N3)CC21C

Received at FYIcenter.com on: 2022-01-07

Molecule ID: FYI-1001109 Edit

Molecule Structure SMILES String: CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(C3=CC=C(S(C)(=O)=O)C=N3)CC21C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001109
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.1943    9.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9780   10.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9780   11.5165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9256    8.8968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001109-3D
FYIcenter.com

 64 68  0  0  1  0  0  0  0  0999 V2000
    1.5844    1.8359    0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4814    0.6470    0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5871   -0.1387    1.4752 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1253    0.3882   -0.8520 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0498    0.5549   -1.7754 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4948   -1.1662   -0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8049   -0.0178   -2.3572 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2022-04-13, 2632👍, 0💬