Molecule FYI-1003042

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A

Molecule Summary:

ID: FYI-1003042
Names:
InChIKey: LAIUFBWHERIJIH-UHFFFAOYSA-N
SMILES: CCCCC(C)CC

Received at FYIcenter.com on: 2023-05-08

Molecule ID: FYI-1003042 Edit

Molecule Structure InChIKey: LAIUFBWHERIJIH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(C)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003042
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003042-3D
FYIcenter.com

 26 25  0     1  0  0  0  0  0999 V2000
    1.1166    0.1305    0.2290 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1957   -0.5092   -0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4596    0.2049    0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3039   -0.7634   -0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2827    1.5627   -0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7216   -0.5204   -0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -0.2655    0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9805    0.1603    0.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0836    0.1663    1.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1947   -0.5331   -1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2331   -1.5533    0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4881    1.2330   -0.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4499    0.2565    1.3093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1455   -1.7739    0.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393   -0.8561   -1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969    2.0243    0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3236    1.5855   -1.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4590    2.2054    0.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083   -1.5586    0.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7477   -0.5489   -1.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9555    0.6570   -0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4261   -1.0149    0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6357   -0.0854    1.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    0.1748    1.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0424    1.1927   -0.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8696   -0.3744   -0.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
$$$$

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2023-05-31, 585👍, 0💬