Molecule FYI-1016339

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Molecule Summary:

ID: FYI-1016339
Names:
InChIKey: JPJCDXQWMPUYGS-VOTSOKGWSA-N
SMILES: CNCCCC(=O)/C=C/c1ccco1

Received at FYIcenter.com on: 2025-12-08

Molecule ID: FYI-1016339 Edit

Molecule Structure InChIKey: JPJCDXQWMPUYGS-VOTSOKGWSA-N

Molecule Structure SMILES String: CNCCCC(=O)/C=C/c1ccco1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016339
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
   11.9153    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 O   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016339-3D
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
    4.8927    2.3040    2.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4666    2.3597    1.4407 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042    1.1762    0.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4657    1.2726   -0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375    2.4890   -1.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5506    2.4711   -1.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1920    1.5567   -2.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2372    3.5998   -0.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5748    3.6536   -0.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2100    4.7220   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5674    4.9708    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7018    6.1501    0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4237    6.5762    1.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5252    5.7321    0.5831 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5564    3.2116    3.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9828    2.2566    2.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4509    1.4473    3.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8586    3.2035    1.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4595    0.2748    1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9931    1.0621    0.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3711    1.3112   -0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7698    0.3552   -1.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6678    3.4175   -1.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6983    2.5069   -2.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6127    4.3535   -0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1922    2.8890   -1.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3697    4.3551   -0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6139    6.6277    1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0082    7.4161    1.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
$$$$

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2025-12-09, 736👍, 0💬