Molecule FYI-1016455

A

Molecule Summary:

ID: FYI-1016455
Names:
InChIKey: LONDCWPNZYYLFV-QIXNEVBVSA-N
SMILES: C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCCC(=C)C

Received at FYIcenter.com on: 2026-01-08

Molecule ID: FYI-1016455 Edit

Molecule Structure InChIKey: LONDCWPNZYYLFV-QIXNEVBVSA-N

Molecule Structure SMILES String: C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCCC(=C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016455
FYIcenter.com

 19 19  0  0  1  0  0  0  0  0999 V2000
   13.3367    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    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  3  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  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  1  0  0  0
 19  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016455-3D
FYIcenter.com

 43 43  0  0  1  0  0  0  0  0999 V2000
    1.4581   -0.5203    1.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980   -0.0155    0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0021   -0.8023   -0.9588 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6202   -2.3028   -0.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6066   -0.2011   -2.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9886   -0.8577   -3.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6832   -0.2973   -4.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4811    0.6981   -5.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2308    1.1405   -6.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1800    0.5807   -7.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9259    0.9583   -8.5013 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3713   -0.3986   -6.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6252   -0.8403   -5.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5524   -0.6602   -0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3668   -1.4057   -1.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8865   -1.3059   -1.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6580   -2.0564   -2.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1044   -2.7478   -3.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1584   -2.0007   -2.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9956    0.1144    1.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014   -1.5723    1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905    1.0558    0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5360   -2.4577   -0.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9718   -2.7475    0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0539   -2.8823   -1.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784    0.8436   -2.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6823   -1.8941   -3.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3177    1.1210   -4.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8695    1.9062   -6.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067    1.5942   -8.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4451   -0.8256   -7.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0064   -1.6175   -4.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8311   -1.0446    0.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    0.4005   -0.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958   -1.0176   -2.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1039   -2.4679   -1.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1735   -1.7073   -0.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1857   -0.2511   -1.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0284   -2.8375   -3.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7126   -3.2635   -4.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4826   -1.4120   -1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5828   -1.5384   -3.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5697   -3.0088   -2.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
M  END
$$$$

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