Molecule Editor

Molecule ID: FYI-1002271 Edit

Molecule Structure InChIKey: QHMBSVQNZZTUGM-ZWKOTPCHSA-N

Molecule Structure SMILES String: C=C(C)[C@@H]1CCC(C)=C[C@H]1c2c(O)cc(CCCCC)cc2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002271
FYIcenter.com

 23 24  0  0  1  0  0  0  0  0999 V2000
    9.8792    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9459    1.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1622    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9459    2.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1622    3.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1622    4.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9459    5.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9459    6.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7297    4.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7297    3.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5135    2.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2973    3.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2973    4.5308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0810    2.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0810    1.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6487    1.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4325    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    1.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2973    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5135    1.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6021    0.4511    0.0000 O   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  1  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  7  2  0  0  0  0
 10  9  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  1  6  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  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 15  1  0  0  0  0
 22 21  2  0  0  0  0
 22 11  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002271-3D
FYIcenter.com

 53 54  0     1  0  0  0  0  0999 V2000
   -0.8107   -1.0808   -1.7544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3557    1.3439    2.3576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0020    0.5280   -0.4606 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0824   -0.1171    0.6145 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4373    0.0054   -0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4902   -1.5161   -0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -1.5914    0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6089    0.1266    0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4298   -2.2333    0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9995    2.0271   -0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0554   -0.3732   -0.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1741    0.8482    1.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6353   -3.7063    0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5231    2.7614   -1.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0809    0.5735   -0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2923   -0.1494   -1.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    1.0721    0.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5218    0.8127   -0.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4008    2.6721    0.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4723   -0.2741   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9468    0.0405   -0.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8583   -1.0477    0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3253   -0.7223    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6877    0.2601   -1.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483    0.3242    1.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0909    0.4637   -1.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8581    0.2687    0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3751   -1.7824   -1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4843   -1.8587   -0.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6424   -2.1494    1.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5669   -3.8908    1.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8198   -4.1653    1.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6919   -4.2131   -0.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4905    2.4840   -1.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1544    2.5195   -2.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5511    3.8476   -1.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7230   -0.5423   -2.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1318    1.6346    1.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6576    0.9079   -1.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8190    1.7867   -0.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3918    3.7564    0.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7503    2.1498    1.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2138   -1.2389   -0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3193   -0.3875    1.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1099    0.1335   -1.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020    1.0072    0.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5503   -1.5291   -1.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8852    0.6474    2.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6238   -2.0112   -0.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6817   -1.1574    1.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5995    0.2200    0.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9589   -1.5136    0.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5436   -0.6350   -1.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 47  1  0  0  0  0
  2 12  1  0  0  0  0
  2 48  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 24  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  9  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  2  0  0  0  0
  7 30  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 19  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
M  END
$$$$