Molecule FYI-1003163

A

Molecule Summary:

ID: FYI-1003163
Names:
InChIKey: VTFWGFWAVPVIAA-UHFFFAOYSA-N
SMILES: C=C(CC(CCc1ccccc1)c2ccccc2)c3ccccc3

Received at FYIcenter.com on: 2023-05-17

Molecule ID: FYI-1003163 Edit

Molecule Structure InChIKey: VTFWGFWAVPVIAA-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(CC(CCc1ccccc1)c2ccccc2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003163
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2125    4.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2430    2.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6019    3.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6751    2.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8324    3.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8510    4.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9703    2.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9092    4.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2457    4.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5529    6.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5236    7.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1871    6.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8799    5.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8331    0.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9711    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2463    0.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3835    1.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2456    2.7865    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
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  9 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  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 13 24  1  0  0  0  0
 13 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003163-3D
FYIcenter.com

 48 50  0     1  0  0  0  0  0999 V2000
    0.1864    0.1272   -0.4481 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3196   -0.1336   -0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0007   -0.1891   -1.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -0.1228    0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4740    1.5356    0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5061   -0.1851   -1.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6481   -0.5296    0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5061    1.7299    0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3050    2.5784   -0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1020   -1.0843   -0.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5901    0.4377    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0037   -1.8648    0.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7702    3.0215    1.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408    3.8700    0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2967    0.5900   -2.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969    4.0915    0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2914   -0.7208    0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4513   -2.2606   -0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9183    0.0615   -0.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3319   -2.2409    0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2892   -1.2777   -0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8524   -1.5671    1.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0123   -3.1068    0.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2129   -2.7600    1.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4658   -0.5698    0.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7313    0.5275   -1.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029   -1.1403   -1.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7237    0.5399   -2.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6980   -1.1616   -2.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0991    0.9066    1.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1023    2.4566   -1.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3102    1.4829   -0.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2652   -2.6226    0.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5742    3.1931    2.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8650    1.2425   -3.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3790    0.5992   -2.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5169   -4.0378    1.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  5  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  6  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  7  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 32  1  0  0  0  0
  9 14  2  0  0  0  0
  9 33  1  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 34  1  0  0  0  0
 12 20  2  0  0  0  0
 12 35  1  0  0  0  0
 13 16  2  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 22  1  0  0  0  0
 17 41  1  0  0  0  0
 18 23  2  0  0  0  0
 18 42  1  0  0  0  0
 19 21  2  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 24  2  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 2330👍, 0💬