Molecule FYI-1003617

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A

Molecule Summary:

ID: FYI-1003617
Names:
InChIKey: JXYMDYHCYZVRON-UHFFFAOYSA-N
SMILES: c1ccc3c(c1)CC4(C2CCCC2)CCCC34

Received at FYIcenter.com on: 2023-07-12

Molecule ID: FYI-1003617 Edit

Molecule Structure InChIKey: JXYMDYHCYZVRON-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc3c(c1)CC4(C2CCCC2)CCCC34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003617
FYIcenter.com

 17 20  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8022    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1337    1.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1337    2.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8022    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9108    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9108    1.8326    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
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  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
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8 17  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003617-3D
FYIcenter.com

 39 42  0  0  1  0  0  0  0  0999 V2000
    2.8726    0.7795    0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5643   -0.5805    0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873   -1.0971    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3088   -0.2192   -0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6465    1.1302   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9048    1.6442   -0.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241    1.9183   -0.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7059    1.0985   -0.3654 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0147    1.7887   -0.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0837    2.2185   -2.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4099    3.7210   -2.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0152    4.0451   -1.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2504    3.1460   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8579    1.0466    1.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6151   -0.3840    1.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8063   -1.2528    0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2109   -0.3877   -0.6406 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8578    1.1653    0.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3279   -1.2431    0.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755   -2.1407    0.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0995    2.7084   -0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    1.8618   -2.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4837    2.9552   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8759    1.1360   -0.7232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8800    1.6585   -2.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1867    2.0323   -3.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0902    3.9747   -3.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4909    4.3033   -2.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0836    3.7906   -1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    5.1007   -0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.0212    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3037    3.6393    0.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8894    1.2627    1.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2056    1.7686    1.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2965   -0.6743    2.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5995   -0.4795    2.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8694   -1.4373    0.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3119   -2.2226    0.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4360   -0.7569   -1.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END
$$$$

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2023-07-29, 3117👍, 0💬