Molecule FYI-1005117

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A

Molecule Summary:

ID: FYI-1005117
Names:
InChIKey: KZHWBDBBPXMVAT-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCc1ccc(O)cc1O

Received at FYIcenter.com on: 2023-10-15

Molecule ID: FYI-1005117 Edit

Molecule Structure InChIKey: KZHWBDBBPXMVAT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCc1ccc(O)cc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005117
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
   21.8238    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    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
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  6  5  1  0  0  0  0
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 10  9  1  0  0  0  0
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 22 21  2  0  0  0  0
 22 16  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005117-3D
FYIcenter.com

 59 59  0     0  0  0  0  0  0999 V2000
   -3.1529   -1.5020   -0.0445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5574   -3.3098   -0.2541 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6772    1.2862   -0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0071    1.2611    0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6616    2.1962    0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0338    0.3763   -0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6579    2.2460   -0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3735    0.3789    0.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828    3.1278    0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4469   -0.4740   -0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0195    3.2393   -0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8362   -1.2916   -0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1340    1.1259    0.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-10-27, 1367👍, 0💬