Molecule FYI-1005799

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A

Molecule Summary:

ID: FYI-1005799
Names:
InChIKey: KRXCRRFMBKCUFS-UHFFFAOYSA-N
SMILES: c3cc1CCCCCc1c(C2CCCCCC2)c3

Received at FYIcenter.com on: 2023-11-16

Molecule ID: FYI-1005799 Edit

Molecule Structure InChIKey: KRXCRRFMBKCUFS-UHFFFAOYSA-N

Molecule Structure SMILES String: c3cc1CCCCCc1c(C2CCCCCC2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005799
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.9283    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7158    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7158    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9283    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1407    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1407    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1370    4.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848    5.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7887    5.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4126    2.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3531    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5099    2.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8477    2.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3591    3.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6591    4.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    5.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2485    4.1961    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
  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
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  5 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 18  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005799-3D
FYIcenter.com

 44 46  0  0  0  0  0  0  0  0999 V2000
   -2.4843   -0.9385   -0.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2340   -1.5294   -0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1434   -0.7608    0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2156   -1.4271    0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2200   -0.9083   -0.7294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8459    0.4524   -0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8522    1.6041   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9091    1.4037    0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3105    0.6190    0.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5816    1.2283    0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8331    2.7163    0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2952    2.9254    1.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3671    4.4030    2.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7402    5.0067    2.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1336    5.1297    0.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0923    3.8376   -0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6772    3.3992   -0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6444    0.4243   -0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188   -1.5368   -0.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1249   -2.5919   -0.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0986   -2.5068    0.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6040   -1.3223    1.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7546   -0.8733   -1.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418   -1.6326   -0.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5597    0.7023   -1.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4303    0.3750    0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2970    1.7367   -1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    2.5279   -0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6575    2.3740    1.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4085    0.8808    1.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8705    3.2321    0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5640    2.4464    2.6505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2512    2.4231    2.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5877    4.9818    1.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    4.4932    3.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7630    6.0084    2.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5024    4.4206    2.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    5.8933    0.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1607    5.5155    0.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6287    4.0335   -1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6403    3.0334    0.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1292    4.2845   -0.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7343    2.7566   -1.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6260    0.8578   -0.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  2  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
M  END
$$$$

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2023-11-23, 971👍, 0💬