Molecule Editor

Molecule ID: FYI-1016287 Edit

Molecule Structure InChIKey: PKIYFBICNICNGJ-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016287
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   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
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   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
   12.1244    4.9000    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
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016287-3D
FYIcenter.com

 42 42  0     0  0  0  0  0  0999 V2000
   -0.5793   -0.2504   -0.3459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8287    1.0995   -1.7303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0769    2.2131    0.6199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8057    2.3022    0.6405 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3136   -0.3529    0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6694    0.2420   -0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1286    0.3279   -0.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8486   -0.3888    0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8026   -0.2882   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1665    0.2908    0.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6193    0.3541   -0.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3378   -0.3057    0.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7368    0.2182   -0.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9111   -0.4907   -0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9112    0.1985    0.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0024   -1.8730   -0.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0025   -0.4949    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0937   -2.5663    0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0937   -1.8773    0.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8442    1.6420    0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3098   -1.4231   -0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899   -0.2730    1.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6536    1.3205   -0.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8156    0.1243   -1.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2364    0.2331   -1.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1334    1.3993   -0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9011   -1.4587    0.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6862   -0.3024    1.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7997   -1.3676   -0.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6782   -0.1812    0.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3459    0.1858   -0.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1078    1.3639    0.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5919    1.4291   -0.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7061    0.2061   -1.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2041   -0.1856    1.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2695    0.1933    0.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4443   -1.3734    0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2324   -2.4230   -1.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7916    0.0100    1.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1648   -3.6426   -0.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9418   -2.4180    1.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0229    3.1845    0.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3 20  1  0  0  0  0
  3 42  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 20  1  0  0  0  0
 16 18  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$