Molecule FYI-1004148

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A

Molecule Summary:

ID: FYI-1004148
Names:
InChIKey: AYWJDYVVJPENIN-UHFFFAOYSA-N
SMILES: c3ccc(CCCCCCCc1cccc2ccccc12)cc3

Received at FYIcenter.com on: 2023-08-18

Molecule ID: FYI-1004148 Edit

Molecule Structure InChIKey: AYWJDYVVJPENIN-UHFFFAOYSA-N

Molecule Structure SMILES String: c3ccc(CCCCCCCc1cccc2ccccc12)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004148
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   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  3  2  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 13  1  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
 22 17  1  0  0  0  0
 23 22  2  0  0  0  0
 23 14  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004148-3D
FYIcenter.com

 49 51  0  0  0  0  0  0  0  0999 V2000
    1.3772   -0.2234    0.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8418   -0.0947   -0.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153    0.1089   -1.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3669    0.2099    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8582    0.4443   -0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6476   -0.8595   -0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1513   -0.6003   -0.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9220   -1.9195   -0.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4330   -1.7091   -0.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2142   -3.0151   -0.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1047   -4.0600    0.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0422   -5.2274   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3977   -5.0629    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3598   -5.9594   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9990   -6.9342   -1.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6530   -7.1442   -1.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2997   -8.1547   -2.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0602   -8.7659   -2.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0832   -8.1779   -1.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3335   -6.9392   -0.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6448   -6.4073   -0.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8385    0.0592    1.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5288   -0.1463    1.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4495   -0.3836    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5166   -0.1403   -1.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8948    0.2194   -2.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0007    1.0731   -1.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2443    1.0274    0.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4821   -1.4919    0.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2762   -1.4227   -1.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3211    0.0237   -1.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -0.0414    0.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7125   -2.5393    0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5590   -2.4614   -1.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6323   -1.0377   -1.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8166   -1.2056    0.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8877   -3.4636   -1.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2689   -2.7390   -1.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3725   -3.5960    1.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0738   -4.4069    0.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7070   -4.2250    0.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3895   -5.8748    0.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7629   -7.6061   -1.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0006   -8.4768   -3.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8701   -9.6957   -2.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1189   -8.6664   -1.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5147   -6.4516   -0.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4909    0.1210    2.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276   -0.2569    2.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  2  0  0  0  0
  1 24  1  0  0  0  0
  2  3  2  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  2  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  2  0  0  0  0
 13 14  2  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  2  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  2  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 2428👍, 0💬