Molecule FYI-1005814

A

Molecule Summary:

ID: FYI-1005814
Names:
InChIKey: RMTXRSKFJQIXGO-JIYPWYQOSA-N
SMILES: C/C(C)=C\\C=C\\C(C)=C\\C=C\\C(C)=C\\C=C\\C=C(C)\\C=C\\C=C(C)\\C=C\\C=C(C)\\C=C\\C=C(C)/C

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005814 Edit

Molecule Structure InChIKey: RMTXRSKFJQIXGO-JIYPWYQOSA-N

Molecule Structure SMILES String: C/C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)/C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005814
FYIcenter.com

 35 34  0  0  0  0  0  0  0  0999 V2000
   32.7357    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    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
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    2.4249    1.4000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  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
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005814-3D
FYIcenter.com

 81 80  0     0  0  0  0  0  0999 V2000
    5.5878   -1.3962   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4767   -0.2378    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644   -1.4403   -0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4056    0.7961   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4045    0.2515   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7661   -0.5245   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3650   -0.8245   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1535    0.0328   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8960   -0.8316   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0530   -0.9130    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2703    0.0647   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7883   -0.1985   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0729   -1.4794   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4149    0.8896   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5154   -0.6300   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3218   -0.5516   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6878    0.0847    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9040    0.5510   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8184   -2.8861    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9824    1.9807    0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4082    0.3571    0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0676   -1.6253    0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4835   -2.9466    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9114   -1.0109   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4541    2.3030   -0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9324   -0.1401   -0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7567    0.8187   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2553    1.7494   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9132    0.6353   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6356    1.9686    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1477   -0.1172    0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8646    0.7626    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7295    3.2881    0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7925    1.8102   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5761   -0.5907    0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5554    0.5449   -0.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3048    0.2645   -0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8408    1.0778   -0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9155    0.2580   -0.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2967   -1.9681    0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3476   -1.0226    0.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9081   -1.2813    0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0740   -2.5625   -0.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9599    1.8802   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3522    0.4480   -0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4881   -1.6283    0.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6210   -1.0021    0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7982    1.6285   -0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3880   -3.1563    0.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9039   -3.4812    0.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3794   -3.2132   -0.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3218   -2.4226    0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6894   -1.7926   -0.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6845   -1.7652    0.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9633   -3.3400    0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9852   -3.3710   -0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5341   -3.3410   -0.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9691    2.6489   -0.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9859    2.6890    0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4739    2.7828   -0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1449   -2.0693    0.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2334   -0.1548    0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897    0.9141   -0.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7472    2.1949    0.8291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7015    2.1710   -0.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2323    2.1243   -0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0065    1.7139   -0.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1208    2.9292    0.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0140   -1.1974    0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5113    0.7569   -0.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5025    0.7775    0.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3208   -0.1836    0.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3516    3.3600    0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0590    4.1539    0.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3781    3.3622   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9443    2.4960   -0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3860    2.0753    0.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4006    1.9993   -0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2627   -1.6390    0.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2134   -0.4746   -0.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1766   -0.3840    1.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1 19  1  0  0  0  0
  2  8  2  0  0  0  0
  2 14  1  0  0  0  0
  2 22  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  2  0  0  0  0
  3 23  1  0  0  0  0
  4 11  2  0  0  0  0
  4 17  1  0  0  0  0
  4 25  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  2  0  0  0  0
  5 28  1  0  0  0  0
  6 10  2  0  0  0  0
  6 36  1  0  0  0  0
  7 13  1  0  0  0  0
  7 37  1  0  0  0  0
  8 10  1  0  0  0  0
  8 38  1  0  0  0  0
  9 13  2  0  0  0  0
  9 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 18  1  0  0  0  0
 11 41  1  0  0  0  0
 12 18  2  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 27  2  0  0  0  0
 14 44  1  0  0  0  0
 15 24  1  0  0  0  0
 15 45  1  0  0  0  0
 16 26  1  0  0  0  0
 16 46  1  0  0  0  0
 17 29  2  0  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 30  2  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 31  2  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 26  2  0  0  0  0
 24 61  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 26 63  1  0  0  0  0
 27 30  1  0  0  0  0
 27 62  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 29 31  1  0  0  0  0
 29 67  1  0  0  0  0
 30 68  1  0  0  0  0
 31 69  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
 32 72  1  0  0  0  0
 33 73  1  0  0  0  0
 33 74  1  0  0  0  0
 33 75  1  0  0  0  0
 34 76  1  0  0  0  0
 34 77  1  0  0  0  0
 34 78  1  0  0  0  0
 35 79  1  0  0  0  0
 35 80  1  0  0  0  0
 35 81  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 2486👍, 0💬