Molecule FYI-1013037

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A

Molecule Summary:

ID: FYI-1013037
Names:
InChIKey: XIJZLRLETJTIBT-SOFGYWHQSA-N
SMILES: CC/C=C\\1OC(=O)C1CCC

Received at FYIcenter.com on: 2024-11-08

Molecule ID: FYI-1013037 Edit

Molecule Structure InChIKey: XIJZLRLETJTIBT-SOFGYWHQSA-N

Molecule Structure SMILES String: CC/C=C\1OC(=O)C1CCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1013037
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.7321    1.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7321    3.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3321    3.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3321    1.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7221    4.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    0.9899    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
    2.3422    4.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7045    5.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    6.3497    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  1  1  0  0  0  0
  2  5  2  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013037-3D
FYIcenter.com

 25 25  0  0  1  0  0  0  0  0999 V2000
    1.7921   -1.0103   -0.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6406   -0.0203   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2340    1.0404   -0.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5364    1.3013   -1.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1202    2.2811   -1.6662 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3473    1.9598   -1.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3932    2.5615   -1.2457 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8229    0.6472   -0.5738 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2931   -0.6126   -1.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8094   -0.7839   -1.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3318   -1.9983   -1.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3197   -1.7187   -0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4013   -1.5807   -1.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9965   -0.5046   -1.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4190   -0.5581    0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0088    0.4765    0.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284    1.7155   -1.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9394    0.5826    0.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0406   -0.5617   -2.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7801   -1.4915   -0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0736   -0.8662   -0.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3285    0.1008   -1.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9034   -2.9231   -1.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4212   -2.0591   -1.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0927   -1.9340   -2.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1161👍, 0💬