Molecule FYI-1015499

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A

Molecule Summary:

ID: FYI-1015499
Names:
InChIKey: KTVWRQYHZUXUGD-UHFFFAOYSA-N
SMILES: C=CCc1ccc(OC(=O)CCCCCCC)c(O)c1

Received at FYIcenter.com on: 2025-09-08

Molecule ID: FYI-1015499 Edit

Molecule Structure InChIKey: KTVWRQYHZUXUGD-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCc1ccc(OC(=O)CCCCCCC)c(O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015499
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    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
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   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
    4.8498    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
    3.6373    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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    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 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  2  0  0  0  0
 10  8  1  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 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015499-3D
FYIcenter.com

 44 44  0  0  0  0  0  0  0  0999 V2000
    1.9181    1.2777   -3.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5285    0.4904   -2.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0152    0.9621   -1.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4923    0.7214   -0.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9335   -0.4770   -0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2933   -0.7082   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2296    0.2385   -0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    0.0769   -0.2675 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1975   -1.1954   -0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6137   -2.2630   -0.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6953   -1.1016   -0.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3234   -1.7179   -1.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8460   -1.7394   -1.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3795   -2.3725   -2.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9031   -2.4118   -2.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4336   -3.0395   -3.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9527   -3.0704   -3.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7984    1.4351   -1.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6802    2.4044   -1.4157 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4424    1.6790   -1.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5824    0.8783   -4.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7430    2.3313   -3.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6783   -0.5610   -2.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4551    0.4341   -0.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7989    2.0270   -0.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2175   -1.2418    0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5849   -1.6371    0.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9809   -1.6437    0.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0086   -0.0601    0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9853   -1.1618   -2.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9583   -2.7457   -1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1933   -2.3132   -0.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2345   -0.7196   -1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0191   -1.8026   -3.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9841   -3.3913   -2.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2605   -2.9855   -1.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2954   -1.3929   -2.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0830   -2.4693   -4.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0495   -4.0609   -4.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3621   -2.0581   -3.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3267   -3.5207   -4.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3287   -3.6579   -3.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5704    2.0795   -1.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250    2.6116   -1.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  2  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 18  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
M  END
$$$$

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2025-09-24, 982👍, 0💬