Molecule FYI-1014811

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A

Molecule Summary:

ID: FYI-1014811
Names:
InChIKey: FEFCILUKYGHITK-UHFFFAOYSA-N
SMILES: CCCCCCCCCCOC(=O)c1ccccc1C(=O)O

Received at FYIcenter.com on: 2025-05-27

Molecule ID: FYI-1014811 Edit

Molecule Structure InChIKey: FEFCILUKYGHITK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCOC(=O)c1ccccc1C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014811
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014811-3D
FYIcenter.com

 48 48  0     0  0  0  0  0  0999 V2000
   -1.7876    1.5093   -0.2812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7741    2.0559    0.7457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3325   -2.1253    2.4231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379   -0.3830    1.9917 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3918    0.5976    0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    0.6568   -0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5399    1.7594   -0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6828   -0.5434    0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1033    1.6668    0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1074   -0.4691   -0.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2416    2.8123   -0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9319   -1.6857    0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2020    2.7224    0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3376   -1.6319   -0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0847    1.3000    0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5763    0.0027   -0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4421   -1.1507    0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1641    0.0005   -1.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9138   -2.3545   -0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6359   -1.2035   -2.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5108   -2.3810   -1.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8234   -1.1558    1.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3700    0.5883    1.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9469   -0.3484   -0.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    0.7126   -1.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3089    1.5810    0.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    1.7513   -1.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9857    2.7101    0.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7111   -0.5776    1.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2044   -1.4695   -0.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1052    1.6944    1.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6737    0.7029   -0.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5938    0.4471    0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0722   -0.4120   -1.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2557    2.7773   -1.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6668    3.7747   -0.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4404   -2.6047   -0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9918   -1.7350    1.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7684    3.5704   -0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2347    2.7631    1.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8690   -0.7390   -0.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -1.6161   -1.5952 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9100   -2.5103   -0.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2647    0.9135   -2.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8195   -3.2915    0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0999   -1.2242   -3.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8754   -3.3187   -1.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9110   -2.1216    3.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  3 22  1  0  0  0  0
  3 48  1  0  0  0  0
  4 22  2  0  0  0  0
  5  6  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  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 22  1  0  0  0  0
 18 20  1  0  0  0  0
 18 44  1  0  0  0  0
 19 21  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  2  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1252👍, 0💬