Molecule FYI-1006642

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A

Molecule Summary:

ID: FYI-1006642
Names:
InChIKey: BUIXYBRVJFSDRY-NTMALXAHSA-N
SMILES: C=C(C)/C=C\\C1(C)C(=O)CCCC1(C)C

Received at FYIcenter.com on: 2024-01-08

Molecule ID: FYI-1006642 Edit

Molecule Structure InChIKey: BUIXYBRVJFSDRY-NTMALXAHSA-N

Molecule Structure SMILES String: C=C(C)/C=C\C1(C)C(=O)CCCC1(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006642
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.0815    0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8651    1.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6489    0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8651    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6489    3.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    1.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    3.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    4.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    1.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7899    1.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006642-3D
FYIcenter.com

 37 37  0  0  1  0  0  0  0  0999 V2000
    4.1579   -2.1454   -2.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2115   -1.3967   -2.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807   -1.8506   -2.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4533   -0.0374   -1.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2440    0.4983   -0.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2099   -0.0107    0.0876 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6007    0.4990   -0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2957   -1.5568    0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1828   -2.1969   -0.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2180   -2.3121    0.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7248   -1.6417    2.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5805   -0.1330    2.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8598    0.5560    1.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0200    0.3219    2.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5913    2.0847    1.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9369   -3.1399   -3.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1734   -1.7849   -3.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6079   -2.7887   -2.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1005   -1.1046   -2.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5004   -2.0064   -1.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8739    0.6780   -2.5295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2147    1.5885   -1.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8272    0.1632   -1.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4093    0.1184    0.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6595    1.5929   -0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6325   -3.2910    1.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829   -2.4969    0.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -1.8791    3.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7580   -2.0764    2.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317    0.2655    3.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7221    0.1003    1.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3511   -0.7205    2.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7154    0.5938    3.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8922    0.9399    2.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532    2.3724    0.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4729    2.6558    1.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3283    2.4197    2.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
M  END
$$$$

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2024-01-15, 195👍, 0💬