Molecule FYI-1007232

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A

Molecule Summary:

ID: FYI-1007232
Names:
InChIKey: FVNFTAQJARARPD-UHFFFAOYSA-N
SMILES: O=C(O)CCCCCCCCCCCCCCCCCc1ccccc1

Received at FYIcenter.com on: 2024-02-09

Molecule ID: FYI-1007232 Edit

Molecule Structure InChIKey: FVNFTAQJARARPD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCCCCCCCCCCCCCCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007232
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 O   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  1  2  0  0  0  0
  3  2  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007232-3D
FYIcenter.com

 66 66  0  0  0  0  0  0  0  0999 V2000
    2.7705    0.2844   -1.0503 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2395    0.0760    0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987    0.0532    0.1454 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0141   -0.1765    1.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5299   -0.1361    1.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2874   -0.3941    2.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7877   -0.3453    2.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5533   -0.6008    3.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0456   -0.5504    3.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8094   -0.8079    4.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3014   -0.7558    4.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0640   -1.0153    5.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5558   -0.9614    5.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3178   -1.2209    6.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8095   -1.1670    6.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5716   -1.4266    7.4685 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0633   -1.3726    7.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8284   -1.6318    8.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3219   -1.5768    8.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0854   -1.8384    9.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5657   -1.7894    9.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2439   -0.5708    9.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6262   -0.5227    9.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3 27  1  0  0  0  0
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  5  6  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 21  1  0  0  0  0
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 20 61  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 62  1  0  0  0  0
 23 24  1  0  0  0  0
 23 63  1  0  0  0  0
 24 25  2  0  0  0  0
 24 64  1  0  0  0  0
 25 26  1  0  0  0  0
 25 65  1  0  0  0  0
 26 66  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1243👍, 0💬