Molecule FYI-1013565

A

Molecule Summary:

ID: FYI-1013565
Names:
InChIKey: KJCZKZIHBOFLCA-UHFFFAOYSA-N
SMILES: Cc1ccc(C(C)C)c(OC(=O)CCCCCCCCCCBr)c1

Received at FYIcenter.com on: 2025-01-10

Molecule ID: FYI-1013565 Edit

Molecule Structure InChIKey: KJCZKZIHBOFLCA-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccc(C(C)C)c(OC(=O)CCCCCCCCCCBr)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1013565
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9914    2.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9762    1.4605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6374    3.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7266    6.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7712    7.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8158    8.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2145    8.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8605   10.2155    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013565-3D
FYIcenter.com

 57 57  0  0  0  0  0  0  0  0999 V2000
   -1.7190   -4.4101   -5.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0028   -3.8248   -4.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3558   -3.5000   -4.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0506   -2.9962   -3.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4258   -2.7850   -2.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2326   -2.2826   -0.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8404   -3.4380   -0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642   -1.2912   -1.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9597   -3.0952   -2.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6449   -3.0603   -0.7504 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7999   -3.9085   -0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3049   -3.6081   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 31  1  0  0  0  0
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M  END
$$$$

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2025-02-16, 585👍, 0💬