Molecule Editor

Molecule ID: FYI-1015707 Edit

Molecule Structure InChIKey: CBTUXJRFSPCNEZ-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015707
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.8499    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
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   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
    8.4871    2.1000    0.0000 O   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
   10.9120    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    3.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015707-3D
FYIcenter.com

 41 41  0     0  0  0  0  0  0999 V2000
   -0.9206   -1.1363    0.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2970    1.3720   -0.2495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3160   -1.8608   -1.4144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0077    0.3407   -0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7697   -0.7177    0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7398    1.5573    0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0688   -1.9616    0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0184    2.5922   -0.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6820   -1.6746   -0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3864   -0.8325    0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724   -0.2584   -0.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6671    0.4185   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9764    0.7093   -0.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3503   -1.8078    0.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3721    0.0521   -0.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6594   -1.5170    0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2006    0.6293    0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5041    2.2418    0.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7392    1.8537    0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0538    0.6630   -0.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5988   -0.0970   -1.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1848   -0.2797    1.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7330   -1.0214    1.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6891    1.2451    0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1387    2.0157    1.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9788   -2.7248    1.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6611   -2.4026   -0.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0865    2.9492   -1.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6455    2.1733   -1.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5411    3.4536   -0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2144    1.6924   -0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074   -2.7870    0.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3598    0.7295   -1.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649   -0.8601   -1.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4262   -2.2797    0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3800   -0.0030    1.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8087    1.6715    1.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3051    2.9403    0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4044    2.8131    1.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3329    2.2051    1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5980    2.5227   -0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$