Molecule FYI-1014775

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A

Molecule Summary:

ID: FYI-1014775
Names:
InChIKey: GRSHNQARIXQRDQ-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCC(=O)Oc1ccc(C)cc1

Received at FYIcenter.com on: 2025-05-22

Molecule ID: FYI-1014775 Edit

Molecule Structure InChIKey: GRSHNQARIXQRDQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC(=O)Oc1ccc(C)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014775
FYIcenter.com

 21 21  0  0  0  0  0  0  0  0999 V2000
   19.3989    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   14.5492    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
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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
    2.4249    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
    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
    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  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  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  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  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014775-3D
FYIcenter.com

 51 51  0     0  0  0  0  0  0999 V2000
    3.6472   -1.1389    0.1845 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7583    0.9882   -0.2072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9402    0.3855   -0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7518   -0.5613    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2691   -0.3517    0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4225    0.1821   -0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4575    0.6019   -0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2342   -0.7586    0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7843   -0.1316    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0963   -0.0196   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0085    0.7717   -0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025   -0.9415    0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3264    0.0646    0.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256   -0.2128   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9198   -0.5676    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4910   -0.0768    1.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5538   -0.5159   -1.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4280    0.5609   -0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7614    0.4948    1.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8242    0.0555   -1.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7864    1.1711   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9013    0.8449   -1.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8731    1.1977    0.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8066   -1.3638   -0.7285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8033   -1.0340    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3467   -1.1521   -0.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2977   -0.8262    1.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3762    0.9980    0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619    0.6369   -1.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3711    1.4142    0.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4440    1.0602   -1.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2820   -1.1967    1.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2886   -1.5860   -0.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8574   -0.9625   -0.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7960   -0.5743    1.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1351    0.4413   -1.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1541    0.8015    0.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9206    1.6273    0.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0280    1.1769   -1.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2558   -1.4172    1.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2832   -1.7205   -0.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1643    0.7560    0.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4673   -0.7777   -0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3573   -0.3174    1.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9726   -0.1294    2.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0843   -0.9102   -2.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2220    0.8833    2.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3342    0.0993   -2.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9545    1.6390   -1.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9117    1.9538    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5518    0.4050    0.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 14  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 13  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 45  1  0  0  0  0
 17 20  2  0  0  0  0
 17 46  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1524👍, 0💬