Molecule FYI-1016635

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A

Molecule Summary:

ID: FYI-1016635
Names:
InChIKey: BOTWFXYSPFMFNR-HMMYKYKNSA-N
SMILES: C/C(=C\\CO)CCCC(C)CCCC(C)CCCC(C)C

Received at FYIcenter.com on: 2026-02-03

Molecule ID: FYI-1016635 Edit

Molecule Structure InChIKey: BOTWFXYSPFMFNR-HMMYKYKNSA-N

Molecule Structure SMILES String: C/C(=C\CO)CCCC(C)CCCC(C)CCCC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016635
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   19.3990    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
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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
   13.3368    2.1000    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
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  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
 13 12  1  0  0  0  0
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 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016635-3D
FYIcenter.com

 61 60  0     1  0  0  0  0  0999 V2000
   -0.5321    5.1749    1.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2902   -2.9473    0.0276 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1826   -3.1566   -0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7347   -1.6521    0.5668 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1983   -2.2573    0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6417   -2.4721   -0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7916   -1.5344   -0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4812   -0.1343    0.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2993   -1.3542   -0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7554    0.0422   -0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5010   -3.2745    1.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4912    0.3899   -0.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1030   -2.0461   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2668    0.3130   -0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2012    1.8978   -1.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7650    0.1765    1.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6668    1.6707   -1.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4803    3.7543    1.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8816   -3.6694   -0.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8512   -2.1154   -0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5311   -1.4927    0.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648    0.1894   -1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071    0.7966    0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0866   -2.4962    2.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0248   -4.2259    1.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5653   -3.3751    1.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7533   -0.1332   -1.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3203   -3.0964    0.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6449   -0.8457    1.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2627    2.2965   -1.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4352    3.4196    0.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2707    5.5120    1.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 61  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
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  8 12  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 59  1  0  0  0  0
 21 60  1  0  0  0  0
M  END
$$$$

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2026-04-13, 507👍, 0💬