Molecule FYI-1006827

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A

Molecule Summary:

ID: FYI-1006827
Names:
InChIKey: YBAMVCBVJCQISP-UHFFFAOYSA-N
SMILES: CCCCC(CCC)CCCC(CCCC)CCC(CCCC)CCCC

Received at FYIcenter.com on: 2024-01-20

Molecule ID: FYI-1006827 Edit

Molecule Structure InChIKey: YBAMVCBVJCQISP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(CCC)CCCC(CCCC)CCC(CCCC)CCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006827
FYIcenter.com

 27 26  0  0  0  0  0  0  0  0999 V2000
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006827-3D
FYIcenter.com

 83 82  0  0  1  0  0  0  0  0999 V2000
    0.0013    4.5020    3.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4876    4.8174    4.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3140    3.5574    3.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238    3.8076    3.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6496    2.5107    3.6874 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3737    1.8014    2.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8027    2.5852    1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5142    1.7979   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1505    2.7885    3.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0118    1.5246    3.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5065    1.7425    4.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9751    2.2481    5.4363 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4333    1.3788    6.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8310    1.8324    8.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3365    3.2356    8.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8142    3.6559    9.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5265    2.2705    5.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1318    3.2619    4.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6702    3.4075    4.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3616    2.0490    4.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8930    2.0345    4.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4704    2.4211    5.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9906    2.3738    5.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1572    4.5051    3.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6022    5.8970    3.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1103    6.9513    2.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5362    8.3195    3.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2970    3.7865    4.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7082    5.2328    5.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7440    5.5818    3.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0533    3.1745    2.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0324    2.7895    4.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0524    4.2389    4.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207    4.5574    3.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3199    1.8134    4.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3087    1.5568    2.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8691    0.8233    2.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8748    2.8049    1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2739    3.5426    1.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0001    0.8172   -0.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8876    2.3387   -1.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4378    1.6451   -0.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2570    3.2007    4.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5185    3.5578    3.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9229    1.1314    2.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6324    0.7431    4.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8402    2.4461    3.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0119    0.7918    3.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6063    3.2731    5.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3379    1.3524    6.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9164    1.7735    8.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4110    1.1166    8.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2412    3.2575    8.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6966    3.9738    7.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4761    2.9522   10.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4244    4.6476   10.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9076    3.7049    9.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8943    1.2559    5.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8830    2.5615    6.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6533    4.2271    4.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8799    2.9808    3.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9131    3.7202    5.5947 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0453    1.6860    3.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0158    1.3056    5.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3035    2.6800    3.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2261    1.0174    4.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0971    1.7363    6.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1551    3.4312    5.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3494    1.3656    5.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9045    9.0703    2.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8247    8.6267    4.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
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  3 34  1  0  0  0  0
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  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
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 26 27  1  0  0  0  0
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 27 83  1  0  0  0  0
M  END
$$$$

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2024-02-18, 984👍, 0💬