Molecule FYI-1014435

A

Molecule Summary:

ID: FYI-1014435
Names:
InChIKey: RMMVSSHXKVCXSU-OBGWFSINSA-N
SMILES: CCOc2c(C/C=C(C)/CS(=O)(=O)c1ccccc1)c(C)c(OC)c3ccccc23

Received at FYIcenter.com on: 2025-04-16

Molecule ID: FYI-1014435 Edit

Molecule Structure InChIKey: RMMVSSHXKVCXSU-OBGWFSINSA-N

Molecule Structure SMILES String: CCOc2c(C/C=C(C)/CS(=O)(=O)c1ccccc1)c(C)c(OC)c3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1014435
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.3373    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
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 20  8  1  0  0  0  0
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 23 22  1  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014435-3D
FYIcenter.com

 58 60  0  0  0  0  0  0  0  0999 V2000
    1.4882    0.6413   -2.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5128    0.0129   -1.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1408    0.9580   -0.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5234    1.0827   -1.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4288   -0.0103   -1.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9802   -2.5898    1.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0123   -1.6574    1.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781   -3.8946    1.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1738   -3.6383    3.4427 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4016   -2.9306    3.1443 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2565   -3.1652    4.4648 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6224   -5.2933    3.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 58  1  0  0  0  0
M  END
$$$$

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2025-04-26, 782👍, 0💬