Molecule FYI-1010959

A

Molecule Summary:

ID: FYI-1010959
Names:
InChIKey: BHSZYKGHISLXHM-QFQLPPQRSA-N
SMILES: C/C(/C=C/C=O)=C/C=C/C(C)=C\\C=C\\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

Received at FYIcenter.com on: 2024-07-18

Molecule ID: FYI-1010959 Edit

Molecule Structure InChIKey: BHSZYKGHISLXHM-QFQLPPQRSA-N

Molecule Structure SMILES String: C/C(/C=C/C=O)=C/C=C/C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010959
FYIcenter.com

 38 38  0  0  0  0  0  0  0  0999 V2000
   25.4612   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8488    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5488    5.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 16  1  0  0  0  0
 38 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010959-3D
FYIcenter.com

 86 86  0  0  0  0  0  0  0  0999 V2000
    5.7354   -9.4358   11.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7087   -9.1853   10.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2911  -10.3091    9.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0647  -11.6164    9.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7452  -12.6276    9.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5626  -13.8255    9.2017 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9933   -7.8981   10.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9062   -7.4493    9.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5504   -6.6732    8.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669   -6.2089    7.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1759   -7.2004    6.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6860   -4.8926    6.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071   -3.8159    7.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3256   -2.8548    6.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7485   -1.7546    7.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2405   -1.5785    7.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5017   -0.8693    8.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9494   -0.8669    8.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5985   -0.9809    9.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0470   -0.9943    9.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7541   -1.1027   10.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0927   -1.2338   12.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2302   -1.1042   10.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9889   -1.2071   11.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4365   -1.2438   12.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1226   -1.3516   13.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4667   -1.4144   14.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5956   -1.3919   13.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3862   -1.4992   14.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8535   -1.4673   14.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5382   -0.3919   13.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9210    0.9167   13.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0487   -0.3650   13.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7195   -1.7160   13.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1032   -2.4248   15.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5821   -2.6951   14.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0420   -3.0763   16.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4122   -3.9146   13.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5328  -10.4901   11.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7703   -8.9643   11.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1247   -9.0152   12.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9794  -10.0482    8.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4036  -12.0091   10.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4249  -12.2426    8.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5178   -7.1052   10.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9378   -7.7892    9.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5183   -6.3240    7.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9457   -8.2477    6.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2636   -7.0818    6.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9046   -7.0345    5.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3741   -4.6077    5.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3045   -3.7914    8.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1412   -2.8983    5.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6863   -2.3332    7.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9623   -0.6009    7.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671   -1.6290    8.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999   -0.0675    8.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160   -0.7988    7.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -1.0765   10.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5783   -0.9069    8.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0036   -1.2334   12.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3785   -0.3957   12.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802   -2.1794   12.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7068   -1.0240    9.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4671   -1.2832   12.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9777   -1.1843   11.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3767   -1.4011   14.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7693   -0.5533   15.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7478   -2.3388   15.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0720   -1.2976   12.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9463   -1.6077   15.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8391    0.9744   13.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1386    1.0967   12.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3461    1.7388   13.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4381    0.3436   14.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3376    0.0152   12.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7945   -1.5723   14.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6179   -2.3258   13.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2639   -1.8025   16.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6416   -3.3633   15.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1293   -2.2379   17.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6092   -3.9161   16.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9932   -3.3882   16.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7933   -3.7142   12.9807 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3603   -4.2046   13.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9535   -4.7851   14.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 42  1  0  0  0  0
  4  5  1  0  0  0  0
  4 43  1  0  0  0  0
  5  6  2  0  0  0  0
  5 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  8  9  2  0  0  0  0
  8 46  1  0  0  0  0
  9 10  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
 12 13  1  0  0  0  0
 12 51  1  0  0  0  0
 13 14  2  0  0  0  0
 13 52  1  0  0  0  0
 14 15  1  0  0  0  0
 14 53  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 18  1  0  0  0  0
 17 57  1  0  0  0  0
 18 19  2  0  0  0  0
 18 58  1  0  0  0  0
 19 20  1  0  0  0  0
 19 59  1  0  0  0  0
 20 21  2  0  0  0  0
 20 60  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 22 63  1  0  0  0  0
 23 24  2  0  0  0  0
 23 64  1  0  0  0  0
 24 25  1  0  0  0  0
 24 65  1  0  0  0  0
 25 26  2  0  0  0  0
 25 66  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 67  1  0  0  0  0
 27 68  1  0  0  0  0
 27 69  1  0  0  0  0
 28 29  2  0  0  0  0
 28 70  1  0  0  0  0
 29 30  1  0  0  0  0
 29 71  1  0  0  0  0
 30 31  2  0  0  0  0
 30 36  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 72  1  0  0  0  0
 32 73  1  0  0  0  0
 32 74  1  0  0  0  0
 33 34  1  0  0  0  0
 33 75  1  0  0  0  0
 33 76  1  0  0  0  0
 34 35  1  0  0  0  0
 34 77  1  0  0  0  0
 34 78  1  0  0  0  0
 35 36  1  0  0  0  0
 35 79  1  0  0  0  0
 35 80  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 81  1  0  0  0  0
 37 82  1  0  0  0  0
 37 83  1  0  0  0  0
 38 84  1  0  0  0  0
 38 85  1  0  0  0  0
 38 86  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-06, 1556👍, 0💬