Molecule FYI-1004648

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A

Molecule Summary:

ID: FYI-1004648
Names:
InChIKey: ITLLUSULPBRBMN-UHFFFAOYSA-N
SMILES: CCCc1cccc(CCC(C)C)c1

Received at FYIcenter.com on: 2023-09-18

Molecule ID: FYI-1004648 Edit

Molecule Structure InChIKey: ITLLUSULPBRBMN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCc1cccc(CCC(C)C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004648
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.0999    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
    0.0000    0.0000    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  2  0  0  0  0
  6  1  1  0  0  0  0
  5  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
  9 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004648-3D
FYIcenter.com

 36 36  0     0  0  0  0  0  0999 V2000
    2.5226   -0.0707   -0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9713   -0.4772   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7523    0.6197    0.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3186    0.9409    0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0476   -1.4157    1.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6141   -1.1505   -1.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0131    0.3103    0.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6876    0.0121    0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0887   -0.6823    0.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0009    2.1679   -0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3283   -1.6355   -0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3326    1.5375   -0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3265    2.4662   -0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4489   -2.6228   -0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5355    0.5951   -1.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9656   -0.9647   -0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5442    0.4292    0.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517   -0.0081    1.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2741    1.5417    0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7423   -0.9091    2.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0737   -1.7672    1.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4073   -2.2935    0.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5973   -0.4829   -2.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6597   -1.4048   -1.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874   -2.0722   -1.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4374   -0.9460    1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0200   -0.1560    0.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8321   -1.2599    1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7745    2.8987   -0.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5796   -1.0618   -1.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4094   -2.1904   -0.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3613    1.7813   -0.5189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5752    3.4213   -0.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3919   -2.1006   -0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5954   -3.2884   -1.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2144   -3.2390    0.5801 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 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
$$$$

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2023-09-23, 1627👍, 0💬