Molecule Editor

Molecule ID: FYI-1014905 Edit

Molecule Structure InChIKey: HKEWIOKZODPVFX-JVSBHGNQSA-N

Molecule Structure SMILES String: CCC(C)c2cc1cc(C(C)CC)c(C(C)CC)cc1cc2C(C)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1014905
FYIcenter.com

 66 67  0  0  1  0  0  0  0  0999 V2000
    3.8345    5.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500    4.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2655    5.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2655    7.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500    7.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8345    7.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4810    7.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4810    9.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2655    9.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500    9.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2655   11.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6965    9.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   11.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4810   11.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4810   13.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9119    9.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6965   11.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9119    7.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500    3.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2655    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8345    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8345    1.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    4.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4035    5.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4035    7.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    3.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4810    4.9123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    7.7194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6965    7.0176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8345    9.8247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   10.5264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4785   10.5108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3482   10.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8345   12.6317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6812   13.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1686   10.7064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8845   11.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2185   13.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4810   14.7370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8845   13.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6137   10.3384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3154    9.1229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6965   12.6317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2757   11.1640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000   11.2282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5554    7.8008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9119    6.3159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3155    7.7194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2655    4.2106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9672    4.0225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4810    2.1053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6342    1.6323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1397    4.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1741    2.8070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0970    1.3221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8345    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    1.4035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8332    4.2383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018    4.3986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7600    6.9362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4035    8.4211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    2.1053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0397    3.5730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    3.5088    0.0000 H   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 27  1  0  0  0  0
  4  3  1  0  0  0  0
  4  7  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7 29  1  0  0  0  0
  8  7  1  0  0  0  0
  8 12  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 11 31  1  1  0  0  0
 11 14  1  0  0  0  0
 12 32  1  6  0  0  0
 12 17  1  0  0  0  0
 13 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 12  1  0  0  0  0
 17 44  1  0  0  0  0
 17 43  1  0  0  0  0
 17 45  1  0  0  0  0
 18 16  1  0  0  0  0
 19  2  1  0  0  0  0
 19 49  1  1  0  0  0
 19 21  1  0  0  0  0
 20 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 58  1  6  0  0  0
 23  1  1  0  0  0  0
 23 26  1  0  0  0  0
 24 59  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 61  1  0  0  0  0
 26 65  1  0  0  0  0
 26 64  1  0  0  0  0
 26 66  1  0  0  0  0
 28  6  1  0  0  0  0
 30 10  1  0  0  0  0
 33 13  1  0  0  0  0
 34 13  1  0  0  0  0
 35 13  1  0  0  0  0
 36 14  1  0  0  0  0
 37 14  1  0  0  0  0
 46 18  1  0  0  0  0
 47 18  1  0  0  0  0
 48 18  1  0  0  0  0
 50 20  1  0  0  0  0
 51 20  1  0  0  0  0
 52 20  1  0  0  0  0
 53 21  1  0  0  0  0
 54 21  1  0  0  0  0
 60 24  1  0  0  0  0
 62 25  1  0  0  0  0
 63 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014905-3D
FYIcenter.com

 66 67  0  0  1  0  0  0  0  0999 V2000
    2.7598    1.9728    3.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720    2.2972    1.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9470    1.3557    0.5288 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4683    1.8901   -0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4684    1.2080    0.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2091    2.4155    0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6086    2.4553    0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3034    3.6701    0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7120    3.7410    0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3730    5.1097    0.0218 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5063    5.3932   -1.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6642    6.3200    0.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5654    6.2248    2.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4506    2.5264    0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9847    2.4847    0.2414 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5101    2.5621    1.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6418    1.2685   -0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3276    1.1638   -1.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7286    1.3170    0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3236    1.2635    0.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6065    0.0504    0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1846   -0.0144    0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6156   -1.4372    0.5653 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9390   -1.7124    1.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7242   -1.9269   -0.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4076   -1.9805   -1.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1623    2.5772    3.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8061    2.2169    3.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5849    0.9259    3.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6306    3.3434    1.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2741    2.2490    1.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.3817    0.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9958    2.8091   -1.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4009    2.1351   -0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6328    1.1538   -1.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6745    3.3646    0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7128    4.5808    0.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3764    5.0813    0.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5328    5.6287   -1.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9199    4.5375   -2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1668    6.2499   -1.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6617    6.4752    0.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2241    7.2325    0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9705    5.3648    2.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0822    7.1254    2.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    6.1482    2.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3565    3.3625   -0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1293    1.7350    2.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2131    3.4980    2.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6049    2.5142    1.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3791    0.3284    0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7322    1.3584   -0.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2708    0.9472   -2.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9122    0.3511   -2.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5876    2.0889   -2.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2692    0.3720    0.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1817   -0.8730    0.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4745   -2.1260    0.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0269   -1.1302    2.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6147   -1.4892    2.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6615   -2.7705    1.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067   -1.3396   -0.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4103   -2.9553   -0.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056   -0.9794   -2.3464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556   -2.4964   -2.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3493   -2.5377   -1.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  2  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  1  0  0  0  0
 19 56  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 57  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 26  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
M  END
$$$$