Molecule FYI-1016496

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A

Molecule Summary:

ID: FYI-1016496
Names:
InChIKey: IHKVZPVHTKOSLW-UHFFFAOYSA-N
SMILES: CCCCCCCCc1ccc(C=O)cc1

Received at FYIcenter.com on: 2026-01-14

Molecule ID: FYI-1016496 Edit

Molecule Structure InChIKey: IHKVZPVHTKOSLW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCc1ccc(C=O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016496
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    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
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    0.0000    1.4000    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    1.4000    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  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  1  0  0  0  0
  9  8  1  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  1  0  0  0  0
 14 13  2  0  0  0  0
 15 12  2  0  0  0  0
 16 15  1  0  0  0  0
 16  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016496-3D
FYIcenter.com

 38 38  0     0  0  0  0  0  0999 V2000
   -6.3776   -1.4189   -0.1384 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1696   -0.1552    0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0445    0.7501   -0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5697    0.3650   -0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6193    0.2377   -0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6487   -0.6207    0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4609    1.2102   -0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0499   -0.0889   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8443    0.7071   -0.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1256   -1.0500    0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    1.0518    0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -0.0926   -1.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7046    0.5863    1.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7920   -0.5584   -0.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3883   -0.2188    0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7220   -0.7048    0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0707   -0.2724    1.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0427   -1.1529   -0.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1476    1.7334    0.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1842    0.9126   -1.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6547    0.5276   -1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7225    1.3358    0.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4998   -0.7281   -0.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4874    0.0409    0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5044   -1.5839   -0.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5490   -0.8019    1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3117    2.1954   -0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3691    1.3697   -1.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1930    0.8820    0.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1637    0.0707   -1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0303   -2.0232   -0.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1192   -0.6506    0.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0598   -1.2039    1.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8999    1.6765    1.6341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0557   -0.3638   -2.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1554    0.8589    2.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3053   -1.1849   -1.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1404   -0.4034    1.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  2  0  0  0  0
 12 35  1  0  0  0  0
 13 15  2  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
$$$$

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2026-02-02, 130👍, 0💬