Molecule FYI-1004147

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A

Molecule Summary:

ID: FYI-1004147
Names:
InChIKey: IYQFJSFDPFWIBM-UHFFFAOYSA-N
SMILES: c3ccc(CCCCCCCc2ccc1ccccc1c2)cc3

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

Molecule ID: FYI-1004147 Edit

Molecule Structure InChIKey: IYQFJSFDPFWIBM-UHFFFAOYSA-N

Molecule Structure SMILES String: c3ccc(CCCCCCCc2ccc1ccccc1c2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004147
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   13.3369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7005    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
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
  5 23  1  0  0  0  0
  6 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004147-3D
FYIcenter.com

 49 51  0     0  0  0  0  0  0999 V2000
   -1.5131   -0.4846    0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3206   -1.2144    0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8678   -0.9534    0.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0056   -0.7259    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1017   -0.2813    0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2246   -1.4215    0.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4232   -0.7467    0.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5399   -0.9661    0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6014   -0.0414    0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2180    0.1127    0.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0751   -1.6217   -0.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4424    0.5496    0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9866   -0.1170   -0.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2903   -1.2010   -1.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0651    1.1564    0.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2276   -0.5871   -0.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1385    1.6337    0.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2109    0.3201   -1.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1550    1.8086    0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3175    0.0649   -1.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3537    2.0545    0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8889    1.3990   -0.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7813    1.2628   -0.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4993   -0.6297   -0.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4128    0.5934    0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4211   -2.2932    0.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3198   -1.0555    1.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9514   -2.0372    0.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8818   -0.7904    1.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0922    0.3582    0.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015   -0.8924   -0.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1098   -0.4734   -0.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0048    0.8057    0.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338   -1.2541    2.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325   -2.5082    0.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5347   -1.8313    0.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4178   -0.5664    1.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7898    0.6202    1.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5547   -2.4618   -1.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6897   -1.7279   -2.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5843    1.5923    1.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8744   -1.5188   -1.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7391    2.1611    1.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6479   -0.1774   -2.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5158    2.7415    0.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8049   -0.3597   -2.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8821    2.8943    0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8349    1.7271   -1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6298    1.7706   -1.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  4  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  5  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  6  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  7  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  8  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  9  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
 11 14  2  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 40  1  0  0  0  0
 15 19  1  0  0  0  0
 15 41  1  0  0  0  0
 16 20  2  0  0  0  0
 16 42  1  0  0  0  0
 17 21  1  0  0  0  0
 17 43  1  0  0  0  0
 18 22  1  0  0  0  0
 18 44  1  0  0  0  0
 19 23  2  0  0  0  0
 19 45  1  0  0  0  0
 20 23  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  2  0  0  0  0
 21 47  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, 2184👍, 0💬